BALL  1.5.0
PDBdefs.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 
5 #ifndef BALL_FORMAT_PDBDEFS_H
6 #define BALL_FORMAT_PDBDEFS_H
7 
8 #ifndef BALL_COMMON_H
9 # include <BALL/common.h>
10 #endif
11 
12 #ifndef BALL_KERNEL_ATOM_H
13 # include <BALL/KERNEL/atom.h>
14 #endif
15 
16 #ifndef BALL_KERNEL_SECONDARYSTRUCTURE_H
18 #endif
19 
20 #ifndef BALL_KERNEL_CHAIN_H
21 # include <BALL/KERNEL/chain.h>
22 #endif
23 
24 #ifndef BALL_KERNEL_RESIDUE_H
25 # include <BALL/KERNEL/residue.h>
26 #endif
27 
28 #ifndef BALL_DATATYPES_HASHSET_H
29 # include <BALL/DATATYPE/hashSet.h>
30 #endif
31 
32 #ifndef BALL_MATHS_MATRIX44_H
33 # include <BALL/MATHS/matrix44.h>
34 #endif
35 
36 namespace BALL
37 {
38 
39 
45  namespace PDB
46  {
49  enum
50  {
54  };
55 
59  {
119 
121 
123  };
124 
127  BALL_EXPORT extern const char* FORMAT_UNKNOWN;
128  BALL_EXPORT extern const char* FORMAT_ANISOU;
129  BALL_EXPORT extern const char* FORMAT_ATOM;
130  BALL_EXPORT extern const char* FORMAT_ATOM_PARTIAL_CRG;
131  BALL_EXPORT extern const char* FORMAT_AUTHOR;
132  BALL_EXPORT extern const char* FORMAT_CAVEAT;
133  BALL_EXPORT extern const char* FORMAT_CISPEP;
134  BALL_EXPORT extern const char* FORMAT_COMPND;
135  BALL_EXPORT extern const char* FORMAT_CONECT;
136  BALL_EXPORT extern const char* FORMAT_CON06;
137  BALL_EXPORT extern const char* FORMAT_CON06_1;
138  BALL_EXPORT extern const char* FORMAT_CON06_2;
139  BALL_EXPORT extern const char* FORMAT_CON06_3;
140  BALL_EXPORT extern const char* FORMAT_CON06_4;
141  BALL_EXPORT extern const char* FORMAT_CRYST1;
142  BALL_EXPORT extern const char* FORMAT_DBREF;
143  BALL_EXPORT extern const char* FORMAT_END;
144  BALL_EXPORT extern const char* FORMAT_ENDMDL;
145  BALL_EXPORT extern const char* FORMAT_EXPDTA;
146  BALL_EXPORT extern const char* FORMAT_FORMUL;
147  BALL_EXPORT extern const char* FORMAT_FTNOTE;
148  BALL_EXPORT extern const char* FORMAT_HEADER;
149  BALL_EXPORT extern const char* FORMAT_HELIX;
150  BALL_EXPORT extern const char* FORMAT_HET;
151  BALL_EXPORT extern const char* FORMAT_HETATM;
152  BALL_EXPORT extern const char* FORMAT_HETNAM;
153  BALL_EXPORT extern const char* FORMAT_HETSYN;
154  BALL_EXPORT extern const char* FORMAT_HYDBND;
155  BALL_EXPORT extern const char* FORMAT_JRNL;
156  BALL_EXPORT extern const char* FORMAT_KEYWDS;
157  BALL_EXPORT extern const char* FORMAT_LINK;
158  BALL_EXPORT extern const char* FORMAT_MASTER;
159  BALL_EXPORT extern const char* FORMAT_MODEL;
160  BALL_EXPORT extern const char* FORMAT_MODRES;
161  BALL_EXPORT extern const char* FORMAT_MTRIX1;
162  BALL_EXPORT extern const char* FORMAT_MTRIX2;
163  BALL_EXPORT extern const char* FORMAT_MTRIX3;
164  BALL_EXPORT extern const char* FORMAT_OBSLTE;
165  BALL_EXPORT extern const char* FORMAT_ORIGX1;
166  BALL_EXPORT extern const char* FORMAT_ORIGX2;
167  BALL_EXPORT extern const char* FORMAT_ORIGX3;
168  BALL_EXPORT extern const char* FORMAT_REMARK;
169  BALL_EXPORT extern const char* FORMAT_REVDAT;
170  BALL_EXPORT extern const char* FORMAT_SCALE1;
171  BALL_EXPORT extern const char* FORMAT_SCALE2;
172  BALL_EXPORT extern const char* FORMAT_SCALE3;
173  BALL_EXPORT extern const char* FORMAT_SEQADV;
174  BALL_EXPORT extern const char* FORMAT_SEQRES;
175  BALL_EXPORT extern const char* FORMAT_SHEET;
176  BALL_EXPORT extern const char* FORMAT_SIGATM;
177  BALL_EXPORT extern const char* FORMAT_SIGUIJ;
178  BALL_EXPORT extern const char* FORMAT_SITE;
179  BALL_EXPORT extern const char* FORMAT_SLTBRG;
180  BALL_EXPORT extern const char* FORMAT_SOURCE;
181  BALL_EXPORT extern const char* FORMAT_SPRSDE;
182  BALL_EXPORT extern const char* FORMAT_SSBOND;
183  BALL_EXPORT extern const char* FORMAT_TER;
184  BALL_EXPORT extern const char* FORMAT_TITLE;
185  BALL_EXPORT extern const char* FORMAT_TURN;
186  BALL_EXPORT extern const char* FORMAT_TVECT;
188 
191  BALL_EXPORT extern const char* RECORD_TAG_ANISOU;
192  BALL_EXPORT extern const char* RECORD_TAG_ATOM;
193  BALL_EXPORT extern const char* RECORD_TAG_AUTHOR;
194  BALL_EXPORT extern const char* RECORD_TAG_CAVEAT;
195  BALL_EXPORT extern const char* RECORD_TAG_CISPEP;
196  BALL_EXPORT extern const char* RECORD_TAG_COMPND;
197  BALL_EXPORT extern const char* RECORD_TAG_CONECT;
198  BALL_EXPORT extern const char* RECORD_TAG_CON06;
199  BALL_EXPORT extern const char* RECORD_TAG_CON061;
200  BALL_EXPORT extern const char* RECORD_TAG_CON062;
201  BALL_EXPORT extern const char* RECORD_TAG_CON063;
202  BALL_EXPORT extern const char* RECORD_TAG_CON064;
203  BALL_EXPORT extern const char* RECORD_TAG_CRYST1;
204  BALL_EXPORT extern const char* RECORD_TAG_DBREF;
205  BALL_EXPORT extern const char* RECORD_TAG_END;
206  BALL_EXPORT extern const char* RECORD_TAG_ENDMDL;
207  BALL_EXPORT extern const char* RECORD_TAG_EXPDTA;
208  BALL_EXPORT extern const char* RECORD_TAG_FORMUL;
209  BALL_EXPORT extern const char* RECORD_TAG_FTNOTE;
210  BALL_EXPORT extern const char* RECORD_TAG_HEADER;
211  BALL_EXPORT extern const char* RECORD_TAG_HELIX;
212  BALL_EXPORT extern const char* RECORD_TAG_HET;
213  BALL_EXPORT extern const char* RECORD_TAG_HETATM;
214  BALL_EXPORT extern const char* RECORD_TAG_HETNAM;
215  BALL_EXPORT extern const char* RECORD_TAG_HETSYN;
216  BALL_EXPORT extern const char* RECORD_TAG_HYDBND;
217  BALL_EXPORT extern const char* RECORD_TAG_JRNL;
218  BALL_EXPORT extern const char* RECORD_TAG_KEYWDS;
219  BALL_EXPORT extern const char* RECORD_TAG_LINK;
220  BALL_EXPORT extern const char* RECORD_TAG_MASTER;
221  BALL_EXPORT extern const char* RECORD_TAG_MODEL;
222  BALL_EXPORT extern const char* RECORD_TAG_MODRES;
223  BALL_EXPORT extern const char* RECORD_TAG_MTRIX1;
224  BALL_EXPORT extern const char* RECORD_TAG_MTRIX2;
225  BALL_EXPORT extern const char* RECORD_TAG_MTRIX3;
226  BALL_EXPORT extern const char* RECORD_TAG_OBSLTE;
227  BALL_EXPORT extern const char* RECORD_TAG_ORIGX1;
228  BALL_EXPORT extern const char* RECORD_TAG_ORIGX2;
229  BALL_EXPORT extern const char* RECORD_TAG_ORIGX3;
230  BALL_EXPORT extern const char* RECORD_TAG_REMARK;
231  BALL_EXPORT extern const char* RECORD_TAG_REVDAT;
232  BALL_EXPORT extern const char* RECORD_TAG_SCALE1;
233  BALL_EXPORT extern const char* RECORD_TAG_SCALE2;
234  BALL_EXPORT extern const char* RECORD_TAG_SCALE3;
235  BALL_EXPORT extern const char* RECORD_TAG_SEQADV;
236  BALL_EXPORT extern const char* RECORD_TAG_SEQRES;
237  BALL_EXPORT extern const char* RECORD_TAG_SHEET;
238  BALL_EXPORT extern const char* RECORD_TAG_SIGATM;
239  BALL_EXPORT extern const char* RECORD_TAG_SIGUIJ;
240  BALL_EXPORT extern const char* RECORD_TAG_SITE;
241  BALL_EXPORT extern const char* RECORD_TAG_SLTBRG;
242  BALL_EXPORT extern const char* RECORD_TAG_SOURCE;
243  BALL_EXPORT extern const char* RECORD_TAG_SPRSDE;
244  BALL_EXPORT extern const char* RECORD_TAG_SSBOND;
245  BALL_EXPORT extern const char* RECORD_TAG_TER;
246  BALL_EXPORT extern const char* RECORD_TAG_TITLE;
247  BALL_EXPORT extern const char* RECORD_TAG_TURN;
248  BALL_EXPORT extern const char* RECORD_TAG_TVECT;
250 
254  typedef char AChar;
257  typedef char Atom[5];
259  typedef char Character;
261  typedef long Continuation;
263  typedef char Date[10];
265  typedef char IDcode[5];
267  typedef long Integer;
269  typedef char PDBList[SIZE_OF_PDB_RECORD_LINE + 1];
271  typedef char LString[SIZE_OF_PDB_RECORD_LINE + 1];
273  typedef char LString2[3];
275  typedef char LString3[4];
277  typedef char LString4[5];
279  typedef char LString5[6];
281  typedef char LString6[7];
283  typedef char LString7[8];
285  typedef char LString8[9];
287  typedef char LString9[10];
289  typedef char LString10[11];
291  typedef char LString11[12];
293  typedef char LString12[13];
295  typedef char LString13[14];
297  typedef char LString21[22];
299  typedef double Real;
301  typedef char RecordName[7];
303  typedef char ResidueName[4];
305  typedef char SList[SIZE_OF_PDB_RECORD_LINE + 1];
313  typedef char String2[3];
315  typedef char String3[4];
317  typedef char String4[5];
319  typedef char String5[6];
321  typedef char String40[41];
323  typedef long SymmetryOperator;
325 
329 
333  {
334  public:
336  char string[7];
337  const char* format_string;
338  };
339 
341  {
346 
347  Residue() { clear(); }
348  void clear()
349  {
350  name[0] = '\0';
351  chain_ID = ' ';
352  sequence_number = 0;
353  insertion_code = ' ';
354  }
355  void set(const ::BALL::Residue& residue)
356  {
357  strncpy(name, residue.getName().c_str(), 3);
358  sequence_number = residue.getID().toInt();
359  const Chain* chain = residue.getChain();
360  chain_ID = (chain == 0 ? ' ' : chain->getName().c_str()[0]);
361  insertion_code = residue.getInsertionCode();
362  }
363  };
364 
365 
369  {
370  Real max_record_size[SIZE_OF_PDB_RECORD_LINE];
371  };
372 
376  {
392  };
393 
397  {
404  Real orthogonal_vector[3];
410  LString4 partial_charge; // not standard! Read if option PARSE_PARTIAL_CHARGES is set!
411  };
412 
416  {
421  };
422 
426  {
432  };
433 
437  {
442  Residue residue[2];
445  };
446 
450  {
455  };
456 
460  {
464  Integer bond_atom[4];
465  Integer hbond_atom[4];
466  Integer salt_bridge_atom[2];
467 
468  void clear()
469  {
470  record_type = PDB::RECORD_TYPE__CONECT;
471  record_name[0] = '\0';
472  atom_serial_number = 0;
473  bond_atom[0] = bond_atom[1] = bond_atom[2] = bond_atom[3] = 0;
474  hbond_atom[0] = hbond_atom[1] = hbond_atom[2] = hbond_atom[3] = 0;
475  salt_bridge_atom[0] = salt_bridge_atom[1] = 0;
476  }
477  };
478 
482  {
486  Integer bond_atom[4];
487 
488  void clear()
489  {
490  record_type = PDB::RECORD_TYPE__CON06;
491  record_name[0] = '\0';
492  atom_serial_number = 0;
493  bond_atom[0] = bond_atom[1] = bond_atom[2] = bond_atom[3] = 0;
494  }
495  };
496 
498  {
502  Integer bond_atom[4];
503 
504  void clear()
505  {
506  record_type = PDB::RECORD_TYPE__CON061;
507  record_name[0] = '\0';
508  atom_serial_number = 0;
509  bond_atom[0] = bond_atom[1] = bond_atom[2] = bond_atom[3] = 0;
510  }
511  };
512 
514  {
518  Integer bond_atom[1];
519 
520  void clear()
521  {
522  record_type = PDB::RECORD_TYPE__CON062;
523  record_name[0] = '\0';
524  atom_serial_number = 0;
525  bond_atom[0] = 0;
526  }
527  };
528 
530  {
534  Integer bond_atom[2];
535 
536  void clear()
537  {
538  record_type = PDB::RECORD_TYPE__CON063;
539  record_name[0] = '\0';
540  atom_serial_number = 0;
541  bond_atom[0] = bond_atom[1] = 0;
542  }
543  };
544 
546  {
550  Integer bond_atom[3];
551 
552  void clear()
553  {
554  record_type = PDB::RECORD_TYPE__CON064;
555  record_name[0] = '\0';
556  atom_serial_number = 0;
557  bond_atom[0] = bond_atom[1] = bond_atom[2] = 0;
558  }
559  };
560 
561 
565  {
569  struct UnitCell
570  {
579  } unit_cell;
580  };
581 
585  {
592  {
595  } initial_sequence;
598  {
601  } ending_sequence;
607  {
610  } initial_database_segment;
613  {
616  } ending_database_segment;
617  };
618 
621  {
624  };
625 
628  {
631  };
632 
635  {
640  };
641 
644  {
652  };
653 
656  {
661  };
662 
665  {
671  };
672 
675  {
685 
686  RecordHELIX() { clear(); }
687  void clear()
688  {
689  record_type = RECORD_TYPE__HELIX;
690  strncpy(record_name, RECORD_TAG_HELIX, 6);
691  serial_number = 0;
692  helix_ID[0] = '\0';
693  initial_residue.clear();
694  terminal_residue.clear();
695  helix_class = 0;
696  comment[0] = '\0';
697  length = 0;
698  }
699  };
700 
703  {
709  };
710 
713  {
720  Real orthogonal_vector[3];
726  };
727 
730  {
736  };
737 
740  {
746  };
747 
750  {
755  {
759  };
760 
761  HydrogenPartnerAtom hydrogen_partner_atom[2];
764  {
768  };
772  };
773 
776  {
780  };
783  {
788  };
791  {
796  {
800  };
801  LinkPartner link_partner[2];
804  };
807  {
822 
823  RecordMASTER() { clear(); }
824  void clear()
825  {
826  record_type = RECORD_TYPE__MASTER;
827  strcpy(record_name, RECORD_TAG_MASTER);
828  zero = number_of_HET_records = number_of_HELIX_records
829  = number_of_SHEET_records = number_of_TURN_records
830  = number_of_SITE_records = number_of_ORIGX_SCALE_MTRIX_records
831  = number_of_ATOM_HETATM_records = number_of_TER_records
832  = number_of_CONECT_records = number_of_SEQRES_records = 0;
833  }
834  };
837  {
841  };
844  {
851  };
854  {
858  Real transformation_matrix[4];
860  };
863  {
867  Real transformation_matrix[4];
869  };
872  {
876  Real transformation_matrix[4];
878  };
881  {
887  IDcode replacing_entry_code[8];
888  };
891  {
894  Real transformation_matrix[4];
895  };
898  {
901  Real transformation_matrix[4];
902  };
905  {
908  Real transformation_matrix[4];
909  };
912  {
917  };
920  {
928  LString6 name_of_modified_record[4];
929  };
930 
933  {
936  Real transformation_matrix[4];
937  };
938 
941  {
944  Real transformation_matrix[4];
945  };
946 
949  {
952  Real transformation_matrix[4];
953  };
954 
957  {
967  };
968 
971  {
977  ResidueName residue_name[13];
978 
980  {
981  clear();
982  }
983 
984  void clear()
985  {
986  record_type = RECORD_TYPE__SEQRES;
987  strncpy(record_name, RECORD_TAG_SEQRES, 6);
988  serial_number = 0;
989  chain_ID = ' ';
990  number_of_residues_in_chain = 0L;
991  residue_name[0][0] = '\0';
992  residue_name[1][0] = '\0';
993  residue_name[2][0] = '\0';
994  residue_name[3][0] = '\0';
995  residue_name[4][0] = '\0';
996  residue_name[5][0] = '\0';
997  residue_name[6][0] = '\0';
998  residue_name[7][0] = '\0';
999  residue_name[8][0] = '\0';
1000  residue_name[9][0] = '\0';
1001  residue_name[10][0] = '\0';
1002  residue_name[11][0] = '\0';
1003  residue_name[12][0] = '\0';
1004  }
1005  };
1006 
1009  {
1022 
1023  RecordSHEET() { clear(); }
1024  void clear()
1025  {
1026  record_type = RECORD_TYPE__SHEET;
1027  strncpy(record_name, RECORD_TAG_SHEET, 6);
1028  strand_number = 0;
1029  sheet_ID[0] = '\0';;
1030  number_of_strands = 0;
1031  initial_residue.clear();
1032  terminal_residue.clear();
1033  sense_of_strand = 0;
1034  atom_name_in_current_strand[0] = '\0';
1035  residue_in_current_strand.clear();
1036  atom_name_in_previous_strand[0] = '\0';
1037  residue_in_previous_strand.clear();
1038  }
1039  };
1040 
1043  {
1050  Real standard_vector_deviation[3];
1056  };
1057 
1060  {
1076  };
1077 
1080  {
1086  Residue residue[4];
1087  };
1088 
1091  {
1096  {
1100  };
1101 
1102  PartnerAtom partner_atom[2];
1105  };
1106 
1109  {
1114  };
1115 
1118  {
1124  IDcode old_codes[8];
1125  };
1126 
1129  {
1133  Residue partner_residue[2];
1134  SymmetryOperator symmetry_operator[2];
1135 
1136  RecordSSBOND() { clear(); }
1137  void clear()
1138  {
1139  record_type = RECORD_TYPE__SSBOND;
1140  strncpy(record_name, RECORD_TAG_SSBOND, 6);
1141  serial_number = 0;
1142  partner_residue[0].clear();
1143  partner_residue[1].clear();
1144  symmetry_operator[0] = 0;
1145  symmetry_operator[1] = 0;
1146  }
1147  };
1148 
1152  {
1157  };
1158 
1162  {
1167  };
1168 
1172  {
1180 
1181  RecordTURN() { clear(); }
1182  void clear()
1183  {
1184  record_type = RECORD_TYPE__TURN;
1185  strncpy(record_name, RECORD_TAG_TURN, 6);
1186  sequence_number = 0;
1187  turn_ID[0] = '\0';;
1188  initial_residue.clear();
1189  terminal_residue.clear();
1190  comment[0] = '\0';
1191  }
1192  };
1193 
1197  {
1201  Real translation_vector[3];
1203  };
1205 
1210  {
1222 
1224  {
1225  clear();
1226  }
1227 
1228  void clear()
1229  {
1230  remark_records = 0;
1231  het_records = 0;
1232  helix_records = 0;
1233  sheet_records = 0;
1234  turn_records = 0;
1235  site_records = 0;
1236  coordinate_transformation_records = 0;
1237  atomic_coordinate_records = 0;
1238  ter_records = 0;
1239  conect_records = 0;
1240  seqres_records = 0;
1241  }
1242  };
1243 
1244 
1246  {
1248  {
1254  {
1255  atom = &a;
1256  residue = a.getResidue();
1257  sec_struct = a.getSecondaryStructure();
1258  chain = a.getChain();
1259  }
1260  };
1261 
1262 
1264  {
1266  std::list<Position> bonds;
1267  std::list<Position> hbonds;
1268  std::list<Position> saltbridges;
1269  };
1270 
1272  {
1281 
1283  : a(0),
1284  b(0),
1285  c(0),
1286  alpha(0),
1287  beta(0),
1288  gamma(0),
1289  z_value(-1)
1290  {
1291  strcpy(space_group, "");
1292  }
1293  } unitcell_info;
1294 
1296  {
1297  Real matrix[12];
1299  NCSMatrix(const BALL::Matrix4x4& m, bool is_given)
1300  {
1301  matrix[0] = m(0,0); matrix[1] = m(0,1); matrix[2] = m(0,2); matrix[3] = m(0,3);
1302  matrix[4] = m(1,0); matrix[5] = m(1,1); matrix[6] = m(1,2); matrix[7] = m(1,3);
1303  matrix[8] = m(2,0); matrix[9] = m(2,1); matrix[10] = m(2,2); matrix[11] = m(2,3);
1304  isgiven = is_given;
1305  }
1306  };
1307 
1308  std::vector<NCSMatrix> ncs_matrices;
1309  std::vector<AtomEntry> atoms;
1310 
1312  std::vector<const Bond*> hydrogen_bonds;
1313  std::vector<const Bond*> saltbridges;
1314  std::vector<const Bond*> ssbonds;
1315 
1316  std::vector<std::pair<AChar, String> > chain_residue_names;
1317  std::vector<const SecondaryStructure*> sec_structs;
1318 
1319  void clear()
1320  {
1321  atoms.clear();
1322  conect_atoms.clear();
1323  hydrogen_bonds.clear();
1324  saltbridges.clear();
1325  ssbonds.clear();
1326  }
1327 
1328  };
1329 
1334  {
1336  const ::BALL::Residue* current_residue;
1342  Position number; // number of the ATOM/HETATM/TER record
1343 
1345  : current_chain(0x0),
1346  current_residue(0x0),
1347  residue_id(1),
1348  residue_insertion_code(' '),
1349  chain_id(' '),
1350  number(1)
1351  {
1352  strncpy(residue_name, "UNK", 4);
1353  strncpy(pdb_id, " ", 5);
1354  }
1355  };
1356 
1359  BALL_EXPORT extern const RecordTypeFormat RECORD_TYPE_FORMAT [];
1360 
1361  } // namespace PDB
1362 
1363 } // namespace BALL
1364 
1365 #endif // BALL_FORMAT_PDBDEFS_H
BALL::PDB::RECORD_TYPE__SCALE2
@ RECORD_TYPE__SCALE2
Definition: PDBdefs.h:103
BALL::PDB::RECORD_TAG_SLTBRG
BALL_EXPORT const char * RECORD_TAG_SLTBRG
BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::atom_name
Atom atom_name
Definition: PDBdefs.h:756
BALL::PDB::RECORD_TYPE__MASTER
@ RECORD_TYPE__MASTER
Definition: PDBdefs.h:90
BALL::PDB::RecordOBSLTE::entry_replaced_date
Date entry_replaced_date
Definition: PDBdefs.h:885
BALL::PDB::RecordFORMUL::record_name
RecordName record_name
Definition: PDBdefs.h:646
BALL::PDB::AdditionalAtomInfo::residue_name
LString3 residue_name
Definition: PDBdefs.h:1340
BALL::PDB::LString12
char LString12[13]
Definition: PDBdefs.h:293
BALL::PDB::Structure::UnitCellInfo::UnitCellInfo
UnitCellInfo()
Definition: PDBdefs.h:1282
BALL::PDB::RecordREMARK::remark_number
Integer remark_number
Definition: PDBdefs.h:915
chain.h
BALL::PDB::RECORD_TAG_MTRIX3
BALL_EXPORT const char * RECORD_TAG_MTRIX3
BALL::PDB::RecordMASTER::number_of_SITE_records
Integer number_of_SITE_records
Definition: PDBdefs.h:816
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::PDB::RecordREMARK::record_type
RecordType record_type
Definition: PDBdefs.h:913
BALL::PDB::RECORD_TAG_SIGATM
BALL_EXPORT const char * RECORD_TAG_SIGATM
BALL::PDB::RecordMTRIX3::record_type
RecordType record_type
Definition: PDBdefs.h:873
BALL::PDB::Structure
Definition: PDBdefs.h:1246
BALL::PDB::RecordOBSLTE
Definition: PDBdefs.h:881
BALL::PDB::RecordDBREF::EndingDatabaseSegment
Definition: PDBdefs.h:613
BALL::PDB::RECORD_TAG_CON063
BALL_EXPORT const char * RECORD_TAG_CON063
BALL::PDB::RecordHETSYN::het_synonyms
SList het_synonyms
Definition: PDBdefs.h:745
BALL::PDB::RecordSLTBRG::first_atom
SymmetryOperator first_atom
Definition: PDBdefs.h:1103
BALL::PDB::RecordSIGUIJ::sig33
Integer sig33
Definition: PDBdefs.h:1069
BALL::PDB::RecordATOM::segment_ID
LString4 segment_ID
Definition: PDBdefs.h:407
BALL::PDB::FORMAT_HYDBND
BALL_EXPORT const char * FORMAT_HYDBND
BALL::PDB::RecordSEQADV::record_name
RecordName record_name
Definition: PDBdefs.h:959
BALL::PDB::RECORD_TYPE__ORIGX2
@ RECORD_TYPE__ORIGX2
Definition: PDBdefs.h:98
BALL::PDB::RecordSHEET::sense_of_strand
Integer sense_of_strand
Definition: PDBdefs.h:1017
BALL::PDB::RECORD_TAG_MTRIX1
BALL_EXPORT const char * RECORD_TAG_MTRIX1
BALL::PDB::RecordSITE::record_type
RecordType record_type
Definition: PDBdefs.h:1081
BALL::PDB::RecordTypeFormat
Definition: PDBdefs.h:333
BALL::PDB::RecordSCALE3::record_type
RecordType record_type
Definition: PDBdefs.h:950
BALL::PDB::RecordTVECT::record_type
RecordType record_type
Definition: PDBdefs.h:1198
BALL::atoms
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL::PDB::RecordCRYST1::UnitCell::space_group
LString space_group
Definition: PDBdefs.h:577
BALL::Chain
Definition: chain.h:32
BALL::PDB::RECORD_TYPE__HELIX
@ RECORD_TYPE__HELIX
Definition: PDBdefs.h:81
BALL::PDB::Structure::NCSMatrix
Definition: PDBdefs.h:1296
BALL::PDB::RecordREMARK
Definition: PDBdefs.h:912
BALL::PDB::RecordDBREF::EndingSequence::insertion_code
AChar insertion_code
Definition: PDBdefs.h:600
BALL::PDB::RECORD_TAG_REMARK
BALL_EXPORT const char * RECORD_TAG_REMARK
BALL::PDB::RecordFORMUL
Definition: PDBdefs.h:644
BALL::PDB::RecordDBREF::chain_ID
Character chain_ID
Definition: PDBdefs.h:589
BALL::PDB::LString5
char LString5[6]
Definition: PDBdefs.h:279
BALL::PDB::RecordSHEET::record_type
RecordType record_type
Definition: PDBdefs.h:1010
BALL::PDB::RecordHEADER::record_name
RecordName record_name
Definition: PDBdefs.h:667
BALL::PDB::RECORD_TAG_HETSYN
BALL_EXPORT const char * RECORD_TAG_HETSYN
BALL::PDB::Structure::AtomEntry::atom
const BALL::Atom * atom
Definition: PDBdefs.h:1249
BALL::PDB::Residue::sequence_number
Integer sequence_number
Definition: PDBdefs.h:344
BALL::PDB::RecordType
RecordType
Definition: PDBdefs.h:59
BALL::PDB::RecordTVECT::comment
PDBString comment
Definition: PDBdefs.h:1202
BALL::PDB::RECORD_TAG_FTNOTE
BALL_EXPORT const char * RECORD_TAG_FTNOTE
BALL::PDB::RecordHELIX::comment
PDBString comment
Definition: PDBdefs.h:683
BALL::PDB::RECORD_TAG_EXPDTA
BALL_EXPORT const char * RECORD_TAG_EXPDTA
BALL::PDB::RecordSIGATM::record_type
RecordType record_type
Definition: PDBdefs.h:1044
BALL::PDB::RecordORIGX2::record_name
RecordName record_name
Definition: PDBdefs.h:900
BALL::PDB::RECORD_TAG_CAVEAT
BALL_EXPORT const char * RECORD_TAG_CAVEAT
BALL::PDB::String3
char String3[4]
Definition: PDBdefs.h:315
BALL::PDB::RecordSIGATM::element_symbol
LString2 element_symbol
Definition: PDBdefs.h:1054
BALL::PDB::FORMAT_TURN
BALL_EXPORT const char * FORMAT_TURN
BALL::PDB::RecordHYDBND::first_non_hydrogen_atom
SymmetryOperator first_non_hydrogen_atom
Definition: PDBdefs.h:770
BALL::PDB::RecordREVDAT::modification_ID
String5 modification_ID
Definition: PDBdefs.h:926
BALL::PDB::RecordMASTER::number_of_TER_records
Integer number_of_TER_records
Definition: PDBdefs.h:819
BALL::PDB::RecordTURN::record_name
RecordName record_name
Definition: PDBdefs.h:1174
BALL::PDB::RecordSIGATM::atom_name
Atom atom_name
Definition: PDBdefs.h:1047
BALL::PDB::RecordHEADER::classification
String40 classification
Definition: PDBdefs.h:668
BALL::PDB::RecordSHEET::number_of_strands
Integer number_of_strands
Definition: PDBdefs.h:1014
BALL::PDB::RecordLINK::LinkPartner::residue
Residue residue
Definition: PDBdefs.h:799
BALL::PDB::RecordJRNL::record_name
RecordName record_name
Definition: PDBdefs.h:778
BALL::PDB::RecordSHEET::record_name
RecordName record_name
Definition: PDBdefs.h:1011
BALL::PDB::RecordMODRES::comment
PDBString comment
Definition: PDBdefs.h:850
BALL::PDB::RecordCRYST1::UnitCell::z_value
Integer z_value
Definition: PDBdefs.h:578
BALL::PDB::RECORD_TYPE__HETNAM
@ RECORD_TYPE__HETNAM
Definition: PDBdefs.h:84
BALL::PDB::RecordSHEET::atom_name_in_previous_strand
Atom atom_name_in_previous_strand
Definition: PDBdefs.h:1020
BALL::PDB::FORMAT_TER
BALL_EXPORT const char * FORMAT_TER
BALL::PDB::Structure::saltbridges
std::vector< const Bond * > saltbridges
Definition: PDBdefs.h:1313
BALL::PDB::FORMAT_MTRIX1
BALL_EXPORT const char * FORMAT_MTRIX1
BALL::PDB::RECORD_TAG_OBSLTE
BALL_EXPORT const char * RECORD_TAG_OBSLTE
BALL::PDB::Structure::chain_residue_names
std::vector< std::pair< AChar, String > > chain_residue_names
Definition: PDBdefs.h:1316
BALL::PDB::RecordTER
Definition: PDBdefs.h:1152
BALL::PDB::Structure::ConectAtomList::serial_number
Position serial_number
Definition: PDBdefs.h:1265
BALL::PDB::RecordMODEL
Definition: PDBdefs.h:837
BALL::PDB::RecordCRYST1::UnitCell
Definition: PDBdefs.h:570
BALL::PDB::FORMAT_HETNAM
BALL_EXPORT const char * FORMAT_HETNAM
BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:757
BALL::PDB::RECORD_TYPE__MODRES
@ RECORD_TYPE__MODRES
Definition: PDBdefs.h:92
BALL::PDB::RecordCISPEP::specific_model_ID
Integer specific_model_ID
Definition: PDBdefs.h:443
BALL::PDB::RECORD_TAG_LINK
BALL_EXPORT const char * RECORD_TAG_LINK
BALL::PDB::RecordFORMUL::record_type
RecordType record_type
Definition: PDBdefs.h:645
BALL::PDB::FORMAT_SCALE1
BALL_EXPORT const char * FORMAT_SCALE1
BALL::PDB::FORMAT_SITE
BALL_EXPORT const char * FORMAT_SITE
BALL::PDB::Structure::ConectAtomList
Definition: PDBdefs.h:1264
BALL::PDB::RecordORIGX2
Definition: PDBdefs.h:898
BALL::PDB::RecordENDMDL
Definition: PDBdefs.h:628
BALL::PDB::RecordLINK::record_type
RecordType record_type
Definition: PDBdefs.h:792
BALL::PDB::String40
char String40[41]
Definition: PDBdefs.h:321
BALL::PDB::RecordMASTER::number_of_HET_records
Integer number_of_HET_records
Definition: PDBdefs.h:812
BALL::PDB::RecordSLTBRG::PartnerAtom
Definition: PDBdefs.h:1096
BALL::PDB::RecordATOM::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:402
BALL::PDB::Structure::ncs_matrices
std::vector< NCSMatrix > ncs_matrices
Definition: PDBdefs.h:1308
BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::residue
Residue residue
Definition: PDBdefs.h:758
BALL::PDB::RecordKEYWDS
Definition: PDBdefs.h:783
BALL::PDB::RecordLINK::record_name
RecordName record_name
Definition: PDBdefs.h:793
BALL::PDB::RecordCON062
Definition: PDBdefs.h:514
BALL::PDB::RecordHETATM::charge
LString2 charge
Definition: PDBdefs.h:725
BALL::PDB::RecordSCALE1::record_type
RecordType record_type
Definition: PDBdefs.h:934
BALL::PDB::FORMAT_EXPDTA
BALL_EXPORT const char * FORMAT_EXPDTA
BALL::PDB::BookKeeping
Definition: PDBdefs.h:1210
BALL::PDB::RecordMTRIX3
Definition: PDBdefs.h:872
BALL::PDB::Structure::UnitCellInfo::space_group
LString space_group
Definition: PDBdefs.h:1279
BALL::PDB::RecordDBREF::InitialDatabaseSegment
Definition: PDBdefs.h:607
BALL::PDB::RecordTITLE::record_name
RecordName record_name
Definition: PDBdefs.h:1164
BALL::PDB::FORMAT_DBREF
BALL_EXPORT const char * FORMAT_DBREF
BALL::PDB::RecordSPRSDE::date
Date date
Definition: PDBdefs.h:1122
BALL::PDB::Date
char Date[10]
Definition: PDBdefs.h:263
BALL::PDB::RecordSIGUIJ
Definition: PDBdefs.h:1060
BALL::PDB::RecordCON061::record_name
RecordName record_name
Definition: PDBdefs.h:500
BALL::PDB::RECORD_TAG_KEYWDS
BALL_EXPORT const char * RECORD_TAG_KEYWDS
BALL::PDB::RecordHYDBND::HydrogenPartnerAtom
Definition: PDBdefs.h:755
BALL::PDB::RecordDBREF::sequence_database_accession_code
LString8 sequence_database_accession_code
Definition: PDBdefs.h:603
BALL::PDB::RecordCONECT
Definition: PDBdefs.h:460
BALL::PDB::RecordHETNAM::chemical_name
PDBString chemical_name
Definition: PDBdefs.h:735
BALL::PDB::RecordHYDBND::second_non_hydrogen_atom
SymmetryOperator second_non_hydrogen_atom
Definition: PDBdefs.h:771
BALL::PDB::RECORD_TYPE__ORIGX3
@ RECORD_TYPE__ORIGX3
Definition: PDBdefs.h:99
BALL::PDB::RecordSIGUIJ::sig12
Integer sig12
Definition: PDBdefs.h:1070
BALL::PDB::RecordCON06::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:485
BALL::SecondaryStructure
Definition: secondaryStructure.h:31
BALL::PDB::RecordSIGUIJ::sig11
Integer sig11
Definition: PDBdefs.h:1067
BALL::PDB::RecordSIGATM::serial_number
Integer serial_number
Definition: PDBdefs.h:1046
BALL::PDB::RecordSITE::name
LString3 name
Definition: PDBdefs.h:1084
BALL::PDB::RECORD_TYPE__TURN
@ RECORD_TYPE__TURN
Definition: PDBdefs.h:117
BALL::PDB::RecordCON061::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:501
BALL::PDB::BookKeeping::coordinate_transformation_records
Size coordinate_transformation_records
Definition: PDBdefs.h:1217
BALL::PDB::SIZE_OF_FORMAT_STRING_BUFFER
@ SIZE_OF_FORMAT_STRING_BUFFER
Definition: PDBdefs.h:53
BALL::PDB::RecordFTNOTE::number
Integer number
Definition: PDBdefs.h:659
BALL::PDB::RECORD_TYPE__CON063
@ RECORD_TYPE__CON063
Definition: PDBdefs.h:71
BALL::PDB::Residue::chain_ID
Character chain_ID
Definition: PDBdefs.h:343
BALL::PDB::RecordTURN::record_type
RecordType record_type
Definition: PDBdefs.h:1173
BALL::PDB::RECORD_TYPE__TVECT
@ RECORD_TYPE__TVECT
Definition: PDBdefs.h:118
BALL::PDB::RecordSOURCE::record_name
RecordName record_name
Definition: PDBdefs.h:1111
BALL::PDB::RecordCON061::clear
void clear()
Definition: PDBdefs.h:504
BALL::PDB::RecordSEQRES::chain_ID
Character chain_ID
Definition: PDBdefs.h:975
BALL::PDB::RECORD_TAG_SSBOND
BALL_EXPORT const char * RECORD_TAG_SSBOND
BALL::PDB::RECORD_TAG_HET
BALL_EXPORT const char * RECORD_TAG_HET
BALL::PDB::RecordMODEL::record_type
RecordType record_type
Definition: PDBdefs.h:838
BALL::PDB::Structure::ssbonds
std::vector< const Bond * > ssbonds
Definition: PDBdefs.h:1314
BALL::PDB::RecordHELIX::helix_class
Integer helix_class
Definition: PDBdefs.h:682
BALL::PDB::RECORD_TAG_ANISOU
BALL_EXPORT const char * RECORD_TAG_ANISOU
BALL::PDB::RECORD_TYPE__SOURCE
@ RECORD_TYPE__SOURCE
Definition: PDBdefs.h:112
BALL::PDB::RECORD_TAG_CRYST1
BALL_EXPORT const char * RECORD_TAG_CRYST1
BALL::PDB::RecordCON064::record_name
RecordName record_name
Definition: PDBdefs.h:548
BALL::PDB::RecordSEQRES::record_name
RecordName record_name
Definition: PDBdefs.h:973
BALL::PDB::RECORD_TAG_SCALE3
BALL_EXPORT const char * RECORD_TAG_SCALE3
BALL::PDB::RecordHETATM::record_type
RecordType record_type
Definition: PDBdefs.h:714
BALL::PDB::Residue::Residue
Residue()
Definition: PDBdefs.h:347
BALL::PDB::RECORD_TAG_ENDMDL
BALL_EXPORT const char * RECORD_TAG_ENDMDL
BALL::PDB::RECORD_TYPE__SPRSDE
@ RECORD_TYPE__SPRSDE
Definition: PDBdefs.h:113
BALL::PDB::RECORD_TYPE__ATOM
@ RECORD_TYPE__ATOM
Definition: PDBdefs.h:62
BALL::PDB::RecordHETSYN::het_ID
LString3 het_ID
Definition: PDBdefs.h:744
BALL::PDB::RECORD_TAG_COMPND
BALL_EXPORT const char * RECORD_TAG_COMPND
BALL::PDB::RECORD_TAG_HETNAM
BALL_EXPORT const char * RECORD_TAG_HETNAM
BALL::PDB::RecordOBSLTE::continuation
Continuation continuation
Definition: PDBdefs.h:884
BALL::Atom
Definition: atom.h:90
BALL::PDB::RecordTURN
Definition: PDBdefs.h:1172
BALL::PDB::RECORD_TYPE__JRNL
@ RECORD_TYPE__JRNL
Definition: PDBdefs.h:87
BALL::PDB::RecordCRYST1::UnitCell::c
Real c
Definition: PDBdefs.h:573
BALL::PDB::RecordMTRIX1
Definition: PDBdefs.h:854
BALL::PDB::RecordENDMDL::record_type
RecordType record_type
Definition: PDBdefs.h:629
BALL::PDB::RecordDBREF::InitialSequence
Definition: PDBdefs.h:592
BALL::PDB::RecordAUTHOR::record_name
RecordName record_name
Definition: PDBdefs.h:418
BALL::PDB::BookKeeping::site_records
Size site_records
Definition: PDBdefs.h:1216
BALL::TMatrix4x4< float >
BALL::PDB::RECORD_TAG_HELIX
BALL_EXPORT const char * RECORD_TAG_HELIX
BALL::PDB::RecordMASTER::number_of_SHEET_records
Integer number_of_SHEET_records
Definition: PDBdefs.h:814
BALL::PDB::RecordSLTBRG::PartnerAtom::atom_name
Atom atom_name
Definition: PDBdefs.h:1097
BALL::PDB::RecordSHEET
Definition: PDBdefs.h:1009
BALL::PDB::RecordREVDAT::record_type
RecordType record_type
Definition: PDBdefs.h:921
BALL::PDB::RecordHETSYN
Definition: PDBdefs.h:740
BALL::PDB::RecordCISPEP
Definition: PDBdefs.h:437
BALL::PDB::FORMAT_SLTBRG
BALL_EXPORT const char * FORMAT_SLTBRG
BALL::PDB::RecordMTRIX2::record_type
RecordType record_type
Definition: PDBdefs.h:864
BALL::PDB::RecordSSBOND
Definition: PDBdefs.h:1129
BALL::Residue
Definition: residue.h:38
BALL::PDB::RecordMASTER
Definition: PDBdefs.h:807
BALL::PDB::RecordCRYST1
Definition: PDBdefs.h:565
BALL::PDB::RECORD_TAG_SPRSDE
BALL_EXPORT const char * RECORD_TAG_SPRSDE
BALL::PDB::RecordDBREF::InitialDatabaseSegment::number
Integer number
Definition: PDBdefs.h:608
BALL::PDB::RecordMODEL::model_serial_number
Integer model_serial_number
Definition: PDBdefs.h:840
BALL::PDB::RECORD_TYPE__TER
@ RECORD_TYPE__TER
Definition: PDBdefs.h:115
BALL::PDB::RecordTypeFormat::format_string
const char * format_string
Definition: PDBdefs.h:337
BALL::PDB::RECORD_TYPE__SLTBRG
@ RECORD_TYPE__SLTBRG
Definition: PDBdefs.h:111
BALL::PDB::RecordMASTER::number_of_HELIX_records
Integer number_of_HELIX_records
Definition: PDBdefs.h:813
BALL::PDB::RecordCON064::record_type
RecordType record_type
Definition: PDBdefs.h:547
BALL::PDB::RecordMTRIX1::is_given
Integer is_given
Definition: PDBdefs.h:859
BALL::PDB::RecordSCALE3
Definition: PDBdefs.h:949
BALL::PDB::LString
char LString[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:271
BALL::PDB::RecordHET
Definition: PDBdefs.h:703
BALL::PDB::RecordATOM
Definition: PDBdefs.h:397
BALL::PDB::AdditionalAtomInfo::residue_insertion_code
AChar residue_insertion_code
Definition: PDBdefs.h:1338
BALL::PDB::RECORD_TAG_JRNL
BALL_EXPORT const char * RECORD_TAG_JRNL
BALL::PDB::FORMAT_ORIGX2
BALL_EXPORT const char * FORMAT_ORIGX2
BALL::PDB::PDBString
char PDBString[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:311
secondaryStructure.h
BALL::PDB::Character
char Character
Definition: PDBdefs.h:259
BALL::PDB::RecordDBREF::InitialSequence::insertion_code
AChar insertion_code
Definition: PDBdefs.h:594
BALL::PDB::LString3
char LString3[4]
Definition: PDBdefs.h:275
BALL::PDB::RECORD_TYPE__END
@ RECORD_TYPE__END
Definition: PDBdefs.h:75
BALL::PDB::RecordLINK::LinkPartner::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:798
BALL::PDB::RecordMASTER::number_of_ORIGX_SCALE_MTRIX_records
Integer number_of_ORIGX_SCALE_MTRIX_records
Definition: PDBdefs.h:817
BALL::PDB::RecordMTRIX3::serial_number
Integer serial_number
Definition: PDBdefs.h:875
BALL::PDB::RecordSCALE2::record_name
RecordName record_name
Definition: PDBdefs.h:943
BALL::PDB::FORMAT_MODEL
BALL_EXPORT const char * FORMAT_MODEL
BALL::PDB::RecordHETATM::segment_ID
LString4 segment_ID
Definition: PDBdefs.h:723
BALL::PDB::FORMAT_CAVEAT
BALL_EXPORT const char * FORMAT_CAVEAT
double
BALL::PDB::BookKeeping::BookKeeping
BookKeeping()
Definition: PDBdefs.h:1223
BALL::PDB::RecordMODEL::record_name
RecordName record_name
Definition: PDBdefs.h:839
BALL::PDB::RecordHELIX::terminal_residue
Residue terminal_residue
Definition: PDBdefs.h:681
BALL::PDB::RecordHYDBND::HydrogenAtom::atom_name
Atom atom_name
Definition: PDBdefs.h:765
BALL::PDB::RECORD_TYPE__LINK
@ RECORD_TYPE__LINK
Definition: PDBdefs.h:89
BALL::PDB::RECORD_TYPE__HETSYN
@ RECORD_TYPE__HETSYN
Definition: PDBdefs.h:85
BALL::PDB::RecordHETATM::element_symbol
LString2 element_symbol
Definition: PDBdefs.h:724
BALL::PDB::RecordSEQADV::db_id_code
LString9 db_id_code
Definition: PDBdefs.h:963
BALL::PDB::RecordMASTER::number_of_SEQRES_records
Integer number_of_SEQRES_records
Definition: PDBdefs.h:821
BALL::HashSet::clear
virtual void clear()
Definition: hashSet.h:660
BALL::PDB::RecordREVDAT::continuation
Continuation continuation
Definition: PDBdefs.h:924
BALL::PDB::RecordCISPEP::angle_measure
Real angle_measure
Definition: PDBdefs.h:444
BALL::PDB::RecordHELIX::initial_residue
Residue initial_residue
Definition: PDBdefs.h:680
BALL::PDB::RecordMTRIX1::record_name
RecordName record_name
Definition: PDBdefs.h:856
BALL::PDB::RECORD_TYPE__CONECT
@ RECORD_TYPE__CONECT
Definition: PDBdefs.h:67
BALL::PDB::RecordEXPDTA::record_name
RecordName record_name
Definition: PDBdefs.h:637
BALL::PDB::FORMAT_END
BALL_EXPORT const char * FORMAT_END
BALL::PDB::Structure::ConectAtomList::saltbridges
std::list< Position > saltbridges
Definition: PDBdefs.h:1268
BALL::PDB::RecordSLTBRG::second_atom
SymmetryOperator second_atom
Definition: PDBdefs.h:1104
BALL::PDB::FORMAT_SOURCE
BALL_EXPORT const char * FORMAT_SOURCE
BALL::PDB::RecordSSBOND::RecordSSBOND
RecordSSBOND()
Definition: PDBdefs.h:1136
BALL::PDB::RecordANISOU::u11
Integer u11
Definition: PDBdefs.h:383
BALL::PDB::RecordSIGUIJ::record_name
RecordName record_name
Definition: PDBdefs.h:1062
BALL::PDB::PDBList
char PDBList[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:269
BALL::PDB::RecordSSBOND::record_type
RecordType record_type
Definition: PDBdefs.h:1130
BALL::PDB::RecordHETNAM::continuation
Continuation continuation
Definition: PDBdefs.h:733
BALL::PDB::RecordLINK::first_atom
SymmetryOperator first_atom
Definition: PDBdefs.h:802
BALL::PDB::RecordCOMPND::record_name
RecordName record_name
Definition: PDBdefs.h:452
BALL::PDB::RecordSHEET::RecordSHEET
RecordSHEET()
Definition: PDBdefs.h:1023
BALL::PDB::RecordSEQADV::comment
LString21 comment
Definition: PDBdefs.h:966
BALL::PDB::RecordMASTER::record_name
RecordName record_name
Definition: PDBdefs.h:809
BALL::PDB::RecordHET::record_type
RecordType record_type
Definition: PDBdefs.h:704
BALL::PDB::FORMAT_REVDAT
BALL_EXPORT const char * FORMAT_REVDAT
BALL::PDB::RECORD_TYPE__COMPND
@ RECORD_TYPE__COMPND
Definition: PDBdefs.h:66
BALL::PDB::RecordHET::number_of_HETATM_records
Integer number_of_HETATM_records
Definition: PDBdefs.h:707
BALL::PDB::RecordSPRSDE::record_name
RecordName record_name
Definition: PDBdefs.h:1120
BALL::PDB::RecordMASTER::number_of_ATOM_HETATM_records
Integer number_of_ATOM_HETATM_records
Definition: PDBdefs.h:818
BALL::PDB::RecordDBREF::sequence_database_name
LString6 sequence_database_name
Definition: PDBdefs.h:602
BALL::PDB::FORMAT_TITLE
BALL_EXPORT const char * FORMAT_TITLE
BALL::PDB::RecordSSBOND::clear
void clear()
Definition: PDBdefs.h:1137
BALL::PDB::FORMAT_HETSYN
BALL_EXPORT const char * FORMAT_HETSYN
BALL::PDB::RecordSCALE1
Definition: PDBdefs.h:933
BALL::PDB::RecordHEADER
Definition: PDBdefs.h:665
BALL::PDB::RecordUNKNOWN
Definition: PDBdefs.h:369
BALL::PDB::RecordSITE::number_of_residues
Integer number_of_residues
Definition: PDBdefs.h:1085
BALL::PDB::RECORD_TAG_SITE
BALL_EXPORT const char * RECORD_TAG_SITE
BALL::PDB::RECORD_TYPE__MODEL
@ RECORD_TYPE__MODEL
Definition: PDBdefs.h:91
BALL::PDB::FORMAT_MASTER
BALL_EXPORT const char * FORMAT_MASTER
BALL::PDB::RecordSIGUIJ::residue
Residue residue
Definition: PDBdefs.h:1066
BALL::PDB::FORMAT_UNKNOWN
BALL_EXPORT const char * FORMAT_UNKNOWN
BALL::PDB::RECORD_TAG_TVECT
BALL_EXPORT const char * RECORD_TAG_TVECT
BALL::PDB::RecordMTRIX2::serial_number
Integer serial_number
Definition: PDBdefs.h:866
BALL::PDB::RecordHYDBND::hydrogen_atom
HydrogenAtom hydrogen_atom
Definition: PDBdefs.h:769
BALL::PDB::AdditionalAtomInfo::chain_id
AChar chain_id
Definition: PDBdefs.h:1339
BALL::PDB::RecordCON063::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:533
BALL::PDB::Residue::name
ResidueName name
Definition: PDBdefs.h:342
BALL::PDB::FORMAT_SEQADV
BALL_EXPORT const char * FORMAT_SEQADV
BALL::PDB::RecordSITE::record_name
RecordName record_name
Definition: PDBdefs.h:1082
BALL::PDB::RECORD_TAG_SOURCE
BALL_EXPORT const char * RECORD_TAG_SOURCE
BALL::PDB::RecordCRYST1::UnitCell::a
Real a
Definition: PDBdefs.h:571
BALL::PDB::RecordATOM::charge
LString2 charge
Definition: PDBdefs.h:409
BALL::PDB::RecordDBREF::EndingDatabaseSegment::number
Integer number
Definition: PDBdefs.h:614
BALL::PDB::RecordSPRSDE::record_type
RecordType record_type
Definition: PDBdefs.h:1119
BALL::PDB::RecordHELIX::length
Integer length
Definition: PDBdefs.h:684
BALL::PDB::RecordHETATM::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:718
BALL
Definition: constants.h:13
BALL::PDB::RecordTypeFormat::record_type
RecordType record_type
Definition: PDBdefs.h:335
BALL::AtomContainer::getName
const String & getName() const
BALL::PDB::FORMAT_SCALE2
BALL_EXPORT const char * FORMAT_SCALE2
BALL::PDB::RecordCAVEAT::record_name
RecordName record_name
Definition: PDBdefs.h:428
BALL::PDB::String4
char String4[5]
Definition: PDBdefs.h:317
BALL::PDB::RecordATOM::occupancy
Real occupancy
Definition: PDBdefs.h:405
BALL::PDB::RecordEXPDTA::continuation
Continuation continuation
Definition: PDBdefs.h:638
BALL::PDB::RecordMODRES::residue
Residue residue
Definition: PDBdefs.h:848
BALL::PDB::RecordANISOU::record_type
RecordType record_type
Definition: PDBdefs.h:377
BALL::PDB::RecordCON06::clear
void clear()
Definition: PDBdefs.h:488
BALL::PDB::RecordCON064::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:549
BALL::PDB::FORMAT_CONECT
BALL_EXPORT const char * FORMAT_CONECT
BALL::PDB::RecordSIGUIJ::segment_ID
LString4 segment_ID
Definition: PDBdefs.h:1073
BALL::PDB::RECORD_TYPE__FTNOTE
@ RECORD_TYPE__FTNOTE
Definition: PDBdefs.h:79
BALL::PDB::FORMAT_CON06_1
BALL_EXPORT const char * FORMAT_CON06_1
BALL::PDB::RecordDBREF::EndingSequence::number
Integer number
Definition: PDBdefs.h:599
BALL::PDB::FORMAT_SEQRES
BALL_EXPORT const char * FORMAT_SEQRES
BALL::PDB::RecordHET::residue
Residue residue
Definition: PDBdefs.h:706
BALL::PDB::RecordSEQRES::RecordSEQRES
RecordSEQRES()
Definition: PDBdefs.h:979
BALL::PDB::RecordREVDAT::modification_number
Integer modification_number
Definition: PDBdefs.h:923
BALL::PDB::RecordName
char RecordName[7]
Definition: PDBdefs.h:301
BALL::PDB::Structure::UnitCellInfo::alpha
Real alpha
Definition: PDBdefs.h:1276
BALL::PDB::Structure::NCSMatrix::NCSMatrix
NCSMatrix(const BALL::Matrix4x4 &m, bool is_given)
Definition: PDBdefs.h:1299
BALL::PDB::RecordORIGX3::record_name
RecordName record_name
Definition: PDBdefs.h:907
BALL::PDB::RecordHYDBND::HydrogenAtom::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:766
BALL::PDB::RecordKEYWDS::record_type
RecordType record_type
Definition: PDBdefs.h:784
BALL::PDB::RecordANISOU::u12
Integer u12
Definition: PDBdefs.h:386
BALL::String::c_str
const char * c_str() const BALL_NOEXCEPT
BALL::PDB::RecordCISPEP::record_name
RecordName record_name
Definition: PDBdefs.h:440
BALL::HashSet
Definition: hashSet.h:46
BALL::PDB::RECORD_TAG_MODEL
BALL_EXPORT const char * RECORD_TAG_MODEL
BALL::PDB::RecordATOM::record_type
RecordType record_type
Definition: PDBdefs.h:398
BALL::PDB::RECORD_TAG_HYDBND
BALL_EXPORT const char * RECORD_TAG_HYDBND
BALL::PDB::RecordSITE::sequence_number
Integer sequence_number
Definition: PDBdefs.h:1083
BALL::PDB::RecordANISOU::record_name
RecordName record_name
Definition: PDBdefs.h:378
BALL::PDB::LString10
char LString10[11]
Definition: PDBdefs.h:289
BALL::PDB::AdditionalAtomInfo::AdditionalAtomInfo
AdditionalAtomInfo()
Definition: PDBdefs.h:1344
BALL::PDB::FORMAT_ATOM_PARTIAL_CRG
BALL_EXPORT const char * FORMAT_ATOM_PARTIAL_CRG
BALL::PDB::RECORD_TYPE__SIGUIJ
@ RECORD_TYPE__SIGUIJ
Definition: PDBdefs.h:109
BALL::PDB::Structure::AtomEntry::AtomEntry
AtomEntry(const BALL::Atom &a)
Definition: PDBdefs.h:1253
BALL::PDB::RecordSLTBRG
Definition: PDBdefs.h:1091
BALL::PDB::RECORD_TAG_ORIGX1
BALL_EXPORT const char * RECORD_TAG_ORIGX1
BALL::PDB::IDcode
char IDcode[5]
Definition: PDBdefs.h:265
BALL::PDB::RecordANISOU::charge
LString2 charge
Definition: PDBdefs.h:391
BALL::PDB::RecordJRNL
Definition: PDBdefs.h:776
BALL::PDB::RecordCON061
Definition: PDBdefs.h:498
BALL::PDB::RecordOBSLTE::entry_code
IDcode entry_code
Definition: PDBdefs.h:886
BALL::PDB::RECORD_TYPE__REVDAT
@ RECORD_TYPE__REVDAT
Definition: PDBdefs.h:101
BALL::PDB::RecordHETSYN::record_type
RecordType record_type
Definition: PDBdefs.h:741
BALL::PDB::RecordDBREF::EndingDatabaseSegment::insertion_code
AChar insertion_code
Definition: PDBdefs.h:615
BALL::PDB::RecordFORMUL::het_ID
LString3 het_ID
Definition: PDBdefs.h:648
BALL::PDB::RecordSLTBRG::PartnerAtom::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:1098
BALL::PDB::FORMAT_ENDMDL
BALL_EXPORT const char * FORMAT_ENDMDL
BALL::PDB::LString9
char LString9[10]
Definition: PDBdefs.h:287
BALL::PDB::RECORD_TYPE__DBREF
@ RECORD_TYPE__DBREF
Definition: PDBdefs.h:74
BALL::PDB::FORMAT_HETATM
BALL_EXPORT const char * FORMAT_HETATM
BALL::PDB::RecordREVDAT::modification_type
Integer modification_type
Definition: PDBdefs.h:927
BALL::PDB::RecordEXPDTA::record_type
RecordType record_type
Definition: PDBdefs.h:636
BALL::PDB::RECORD_TYPE__ANISOU
@ RECORD_TYPE__ANISOU
Definition: PDBdefs.h:61
BALL::PDB::RecordSIGUIJ::record_type
RecordType record_type
Definition: PDBdefs.h:1061
BALL::PDB::RecordCON062::clear
void clear()
Definition: PDBdefs.h:520
BALL::Constants::c
BALL_EXTERN_VARIABLE const double c
Definition: constants.h:149
BALL::PDB::RecordTITLE::title
PDBString title
Definition: PDBdefs.h:1166
BALL::Atom::getChain
const Chain * getChain() const
BALL::PDB::RecordSEQADV::residue
Residue residue
Definition: PDBdefs.h:961
BALL::PDB::RecordHYDBND::record_type
RecordType record_type
Definition: PDBdefs.h:751
BALL::PDB::RECORD_TAG_DBREF
BALL_EXPORT const char * RECORD_TAG_DBREF
BALL::PDB::RecordMASTER::number_of_CONECT_records
Integer number_of_CONECT_records
Definition: PDBdefs.h:820
BALL::PDB::RecordSIGUIJ::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:1065
BALL::PDB::RECORD_TYPE__CON061
@ RECORD_TYPE__CON061
Definition: PDBdefs.h:69
BALL::PDB::RecordREMARK::record_name
RecordName record_name
Definition: PDBdefs.h:914
BALL::PDB::RECORD_TYPE__REMARK
@ RECORD_TYPE__REMARK
Definition: PDBdefs.h:100
BALL::PDB::ResidueName
char ResidueName[4]
Definition: PDBdefs.h:303
BALL::PDB::FORMAT_HET
BALL_EXPORT const char * FORMAT_HET
BALL::PDB::RecordSHEET::sheet_ID
LString3 sheet_ID
Definition: PDBdefs.h:1013
BALL::PDB::RecordSEQADV::db_res
LString3 db_res
Definition: PDBdefs.h:964
BALL::PDB::RECORD_TYPE__CAVEAT
@ RECORD_TYPE__CAVEAT
Definition: PDBdefs.h:64
BALL::PDB::Structure::AtomEntry::residue
const BALL::Residue * residue
Definition: PDBdefs.h:1250
BALL::Atom::getResidue
const Residue * getResidue() const
BALL::PDB::RecordTURN::comment
PDBString comment
Definition: PDBdefs.h:1179
BALL::PDB::RECORD_TYPE__HETATM
@ RECORD_TYPE__HETATM
Definition: PDBdefs.h:83
BALL::PDB::ALL_RECORD_TYPES
@ ALL_RECORD_TYPES
Definition: PDBdefs.h:122
BALL::PDB::RecordSEQADV::database
LString4 database
Definition: PDBdefs.h:962
BALL::PDB::RECORD_TYPE__CON062
@ RECORD_TYPE__CON062
Definition: PDBdefs.h:70
BALL::PDB::RecordSSBOND::serial_number
Integer serial_number
Definition: PDBdefs.h:1132
BALL::PDB::FORMAT_CON06
BALL_EXPORT const char * FORMAT_CON06
BALL::PDB::RecordSEQRES::record_type
RecordType record_type
Definition: PDBdefs.h:972
BALL::PDB::RecordDBREF::entry_code
IDcode entry_code
Definition: PDBdefs.h:588
BALL::PDB::RecordLINK::LinkPartner::atom_name
Atom atom_name
Definition: PDBdefs.h:797
BALL::PDB::RecordTER::record_type
RecordType record_type
Definition: PDBdefs.h:1153
BALL::PDB::RecordHETNAM::record_type
RecordType record_type
Definition: PDBdefs.h:731
BALL::PDB::FORMAT_FTNOTE
BALL_EXPORT const char * FORMAT_FTNOTE
BALL::PDB::RecordORIGX1::record_type
RecordType record_type
Definition: PDBdefs.h:892
BALL::PDB::RecordANISOU::u33
Integer u33
Definition: PDBdefs.h:385
BALL::PDB::RECORD_TYPE__HYDBND
@ RECORD_TYPE__HYDBND
Definition: PDBdefs.h:86
BALL::PDB::RecordSHEET::atom_name_in_current_strand
Atom atom_name_in_current_strand
Definition: PDBdefs.h:1018
BALL::PDB::RecordSEQRES::clear
void clear()
Definition: PDBdefs.h:984
BALL::PDB::RecordHET::record_name
RecordName record_name
Definition: PDBdefs.h:705
BALL::PDB::RecordHETSYN::continuation
Continuation continuation
Definition: PDBdefs.h:743
BALL::PDB::RecordSEQRES
Definition: PDBdefs.h:971
BALL::PDB::RECORD_TAG_REVDAT
BALL_EXPORT const char * RECORD_TAG_REVDAT
BALL::PDB::RecordTVECT::record_name
RecordName record_name
Definition: PDBdefs.h:1199
BALL::PDB::RecordHETNAM
Definition: PDBdefs.h:730
BALL_SIZE_TYPE
BALL::PDB::RecordCAVEAT
Definition: PDBdefs.h:426
BALL::PDB::RecordHELIX::helix_ID
LString3 helix_ID
Definition: PDBdefs.h:679
BALL::PDB::SList
char SList[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:305
BALL::PDB::RecordMTRIX3::is_given
Integer is_given
Definition: PDBdefs.h:877
BALL::PDB::RECORD_TYPE__MTRIX1
@ RECORD_TYPE__MTRIX1
Definition: PDBdefs.h:93
BALL::PDB::RecordCAVEAT::comment
PDBString comment
Definition: PDBdefs.h:431
BALL::PDB::RecordMTRIX1::record_type
RecordType record_type
Definition: PDBdefs.h:855
BALL::PDB::FORMAT_CON06_3
BALL_EXPORT const char * FORMAT_CON06_3
BALL::PDB::RecordSOURCE
Definition: PDBdefs.h:1109
BALL::PDB::RecordLINK
Definition: PDBdefs.h:791
BALL::PDB::RecordCRYST1::UnitCell::beta
Real beta
Definition: PDBdefs.h:575
BALL::PDB::RecordCISPEP::record_type
RecordType record_type
Definition: PDBdefs.h:439
BALL::PDB::RecordCON063
Definition: PDBdefs.h:530
BALL::PDB::Structure::sec_structs
std::vector< const SecondaryStructure * > sec_structs
Definition: PDBdefs.h:1317
BALL::PDB::RecordFORMUL::chemical_formula
PDBString chemical_formula
Definition: PDBdefs.h:651
BALL::PDB::RecordDBREF::InitialDatabaseSegment::insertion_code
AChar insertion_code
Definition: PDBdefs.h:609
BALL::PDB::RecordFTNOTE::record_type
RecordType record_type
Definition: PDBdefs.h:657
BALL::PDB::Structure::AtomEntry::sec_struct
const BALL::SecondaryStructure * sec_struct
Definition: PDBdefs.h:1251
BALL::PDB::Residue::clear
void clear()
Definition: PDBdefs.h:348
BALL::PDB::FORMAT_SIGUIJ
BALL_EXPORT const char * FORMAT_SIGUIJ
BALL::PDB::RecordSHEET::residue_in_previous_strand
Residue residue_in_previous_strand
Definition: PDBdefs.h:1021
BALL::PDB::RecordCRYST1::UnitCell::b
Real b
Definition: PDBdefs.h:572
BALL::PDB::RecordSITE
Definition: PDBdefs.h:1080
BALL::PDB::RecordHYDBND::HydrogenAtom
Definition: PDBdefs.h:764
BALL::PDB::RECORD_TYPE__FORMUL
@ RECORD_TYPE__FORMUL
Definition: PDBdefs.h:78
BALL::PDB::RecordHETATM::atom_name
Atom atom_name
Definition: PDBdefs.h:717
BALL::PDB::RecordCON06
Definition: PDBdefs.h:482
BALL::PDB::RECORD_TYPE__SEQADV
@ RECORD_TYPE__SEQADV
Definition: PDBdefs.h:105
BALL::PDB::RECORD_TYPE__SSBOND
@ RECORD_TYPE__SSBOND
Definition: PDBdefs.h:114
BALL::PDB::LString2
char LString2[3]
Definition: PDBdefs.h:273
BALL::PDB::RecordCON062::record_type
RecordType record_type
Definition: PDBdefs.h:515
BALL::PDB::RecordTER::residue
Residue residue
Definition: PDBdefs.h:1156
BALL::PDB::RecordATOM::residue
Residue residue
Definition: PDBdefs.h:403
BALL::PDB::RecordCONECT::clear
void clear()
Definition: PDBdefs.h:468
BALL::PDB::RecordSOURCE::continuation
Continuation continuation
Definition: PDBdefs.h:1112
BALL::PDB::RecordEXPDTA::technique
SList technique
Definition: PDBdefs.h:639
BALL::PDB::RecordMODRES::record_name
RecordName record_name
Definition: PDBdefs.h:846
BALL::PDB::RECORD_TYPE__CISPEP
@ RECORD_TYPE__CISPEP
Definition: PDBdefs.h:65
BALL::PDB::RECORD_TYPE__SCALE3
@ RECORD_TYPE__SCALE3
Definition: PDBdefs.h:104
BALL::PDB::RecordTER::record_name
RecordName record_name
Definition: PDBdefs.h:1154
BALL::PDB::RecordSIGATM::segment_ID
LString4 segment_ID
Definition: PDBdefs.h:1053
BALL::PDB::FORMAT_FORMUL
BALL_EXPORT const char * FORMAT_FORMUL
BALL::PDB::RecordSCALE1::record_name
RecordName record_name
Definition: PDBdefs.h:935
BALL::PDB::RecordHETNAM::het_ID
LString3 het_ID
Definition: PDBdefs.h:734
BALL::PDB::RECORD_TAG_HEADER
BALL_EXPORT const char * RECORD_TAG_HEADER
BALL::PDB::Structure::UnitCellInfo::gamma
Real gamma
Definition: PDBdefs.h:1278
BALL::PDB::RECORD_TAG_SCALE1
BALL_EXPORT const char * RECORD_TAG_SCALE1
BALL::PDB::RecordSLTBRG::record_name
RecordName record_name
Definition: PDBdefs.h:1093
BALL::PDB::RecordAUTHOR::continuation
Continuation continuation
Definition: PDBdefs.h:419
atom.h
BALL::PDB::RecordSIGUIJ::sig22
Integer sig22
Definition: PDBdefs.h:1068
BALL::PDB::RecordCISPEP::record_serial_number
Integer record_serial_number
Definition: PDBdefs.h:441
BALL::PDB::Structure::NCSMatrix::isgiven
Integer isgiven
Definition: PDBdefs.h:1298
BALL::PDB::RecordCRYST1::UnitCell::alpha
Real alpha
Definition: PDBdefs.h:574
BALL::PDB::RecordATOM::atom_name
Atom atom_name
Definition: PDBdefs.h:401
BALL::PDB::RecordHETATM::residue
Residue residue
Definition: PDBdefs.h:719
BALL::PDB::RecordTURN::terminal_residue
Residue terminal_residue
Definition: PDBdefs.h:1178
BALL::PDB::RecordMODRES::standard_residue_name
ResidueName standard_residue_name
Definition: PDBdefs.h:849
BALL::PDB::RecordSLTBRG::record_type
RecordType record_type
Definition: PDBdefs.h:1092
BALL::PDB::RecordSSBOND::record_name
RecordName record_name
Definition: PDBdefs.h:1131
hashSet.h
BALL::PDB::RecordSHEET::residue_in_current_strand
Residue residue_in_current_strand
Definition: PDBdefs.h:1019
BALL::PDB::RecordCAVEAT::record_type
RecordType record_type
Definition: PDBdefs.h:427
BALL::PDB::RecordANISOU::u22
Integer u22
Definition: PDBdefs.h:384
BALL::PDB::RecordANISOU::residue
Residue residue
Definition: PDBdefs.h:382
BALL::PDB::RecordCON063::clear
void clear()
Definition: PDBdefs.h:536
BALL::PDB::RECORD_TAG_END
BALL_EXPORT const char * RECORD_TAG_END
BALL::PDB::RecordSIGUIJ::element_symbol
LString2 element_symbol
Definition: PDBdefs.h:1074
BALL::PDB::RECORD_TYPE__TITLE
@ RECORD_TYPE__TITLE
Definition: PDBdefs.h:116
BALL::PDB::FORMAT_ORIGX1
BALL_EXPORT const char * FORMAT_ORIGX1
BALL::PDB::FORMAT_LINK
BALL_EXPORT const char * FORMAT_LINK
BALL::PDB::RecordSIGUIJ::sig23
Integer sig23
Definition: PDBdefs.h:1072
BALL::PDB::RecordSIGUIJ::serial_number
Integer serial_number
Definition: PDBdefs.h:1063
BALL::PDB::FORMAT_ORIGX3
BALL_EXPORT const char * FORMAT_ORIGX3
BALL::PDB::RECORD_TYPE__HEADER
@ RECORD_TYPE__HEADER
Definition: PDBdefs.h:80
BALL::PDB::RecordANISOU::segment_ID
LString4 segment_ID
Definition: PDBdefs.h:389
BALL::PDB::RECORD_TAG_CON061
BALL_EXPORT const char * RECORD_TAG_CON061
BALL::PDB::RecordCON063::record_name
RecordName record_name
Definition: PDBdefs.h:532
BALL::PDB::Structure::UnitCellInfo
Definition: PDBdefs.h:1272
BALL::PDB::LString11
char LString11[12]
Definition: PDBdefs.h:291
BALL::PDB::RECORD_TAG_FORMUL
BALL_EXPORT const char * RECORD_TAG_FORMUL
BALL::PDB::RecordORIGX3
Definition: PDBdefs.h:905
BALL::PDB::RecordEXPDTA
Definition: PDBdefs.h:635
BALL::PDB::RecordSHEET::clear
void clear()
Definition: PDBdefs.h:1024
BALL::PDB::RECORD_TYPE__CRYST1
@ RECORD_TYPE__CRYST1
Definition: PDBdefs.h:73
BALL::PDB::RecordFTNOTE::record_name
RecordName record_name
Definition: PDBdefs.h:658
BALL::PDB::RecordSIGATM
Definition: PDBdefs.h:1043
BALL::PDB::RecordHYDBND
Definition: PDBdefs.h:750
BALL::PDB::Structure::UnitCellInfo::z_value
Integer z_value
Definition: PDBdefs.h:1280
BALL::PDB::RecordSIGATM::record_name
RecordName record_name
Definition: PDBdefs.h:1045
BALL::PDB::RecordCOMPND
Definition: PDBdefs.h:450
BALL::PDB::RecordCAVEAT::continuation
Continuation continuation
Definition: PDBdefs.h:429
BALL::PDB::RECORD_TAG_MTRIX2
BALL_EXPORT const char * RECORD_TAG_MTRIX2
BALL::PDB::RecordHELIX::clear
void clear()
Definition: PDBdefs.h:687
BALL::PDB::Structure::ConectAtomList::hbonds
std::list< Position > hbonds
Definition: PDBdefs.h:1267
BALL::PDB::Structure::AtomEntry::chain
const BALL::Chain * chain
Definition: PDBdefs.h:1252
BALL::PDB::RecordMASTER::record_type
RecordType record_type
Definition: PDBdefs.h:808
BALL::PDB::RecordORIGX2::record_type
RecordType record_type
Definition: PDBdefs.h:899
BALL::PDB::RecordCRYST1::UnitCell::gamma
Real gamma
Definition: PDBdefs.h:576
BALL::PDB::RecordMTRIX1::serial_number
Integer serial_number
Definition: PDBdefs.h:857
BALL::PDB::Structure::conect_atoms
HashSet< const ::BALL::Atom * > conect_atoms
Definition: PDBdefs.h:1311
BALL::PDB::RecordTURN::sequence_number
Integer sequence_number
Definition: PDBdefs.h:1175
BALL::PDB::SIZE_OF_PDB_RECORD_LINE
@ SIZE_OF_PDB_RECORD_LINE
Definition: PDBdefs.h:51
BALL::PDB::FORMAT_SIGATM
BALL_EXPORT const char * FORMAT_SIGATM
BALL::PDB::RecordHYDBND::HydrogenAtom::residue
Residue residue
Definition: PDBdefs.h:767
BALL::PDB::RecordSEQADV
Definition: PDBdefs.h:957
BALL::PDB::FORMAT_COMPND
BALL_EXPORT const char * FORMAT_COMPND
BALL::PDB::RecordCOMPND::component_description
SpecificationList component_description
Definition: PDBdefs.h:454
BALL::PDB::RecordHETATM
Definition: PDBdefs.h:713
BALL::PDB::RECORD_TYPE__CON064
@ RECORD_TYPE__CON064
Definition: PDBdefs.h:72
BALL::PDB::SpecificationList
char SpecificationList[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:309
BALL::PDB::RecordAUTHOR
Definition: PDBdefs.h:416
BALL::PDB::RecordANISOU::atom_name
Atom atom_name
Definition: PDBdefs.h:380
BALL::PDB::LString13
char LString13[14]
Definition: PDBdefs.h:295
BALL::PDB::RecordSIGUIJ::atom_name
Atom atom_name
Definition: PDBdefs.h:1064
BALL::PDB::Continuation
long Continuation
Definition: PDBdefs.h:261
BALL::PDB::FORMAT_SCALE3
BALL_EXPORT const char * FORMAT_SCALE3
BALL::PDB::BookKeeping::remark_records
Size remark_records
Definition: PDBdefs.h:1211
BALL::PDB::Structure::ConectAtomList::bonds
std::list< Position > bonds
Definition: PDBdefs.h:1266
BALL::PDB::FORMAT_CON06_4
BALL_EXPORT const char * FORMAT_CON06_4
BALL::PDB::RecordREVDAT::modification_date
Date modification_date
Definition: PDBdefs.h:925
BALL::PDB::RecordSHEET::initial_residue
Residue initial_residue
Definition: PDBdefs.h:1015
BALL::PDB::FORMAT_MTRIX2
BALL_EXPORT const char * FORMAT_MTRIX2
BALL::PDB::RECORD_TAG_CISPEP
BALL_EXPORT const char * RECORD_TAG_CISPEP
BALL::PDB::RECORD_TAG_SEQRES
BALL_EXPORT const char * RECORD_TAG_SEQRES
BALL::PDB::RecordDBREF::InitialSequence::number
Integer number
Definition: PDBdefs.h:593
BALL::PDB::RecordFORMUL::is_water
Character is_water
Definition: PDBdefs.h:650
BALL::PDB::FORMAT_HEADER
BALL_EXPORT const char * FORMAT_HEADER
BALL::PDB::RecordHELIX::RecordHELIX
RecordHELIX()
Definition: PDBdefs.h:686
BALL::PDB::RecordMODRES::entry_code
IDcode entry_code
Definition: PDBdefs.h:847
BALL::PDB::RecordOBSLTE::record_name
RecordName record_name
Definition: PDBdefs.h:883
BALL::PDB::RecordHELIX::record_type
RecordType record_type
Definition: PDBdefs.h:676
BALL::PDB::RecordORIGX1::record_name
RecordName record_name
Definition: PDBdefs.h:893
BALL::PDB::SymmetryOperator
long SymmetryOperator
Definition: PDBdefs.h:323
BALL::PDB::RecordCON063::record_type
RecordType record_type
Definition: PDBdefs.h:531
BALL::PDB::RecordANISOU::u13
Integer u13
Definition: PDBdefs.h:387
BALL::PDB::RECORD_TAG_ORIGX2
BALL_EXPORT const char * RECORD_TAG_ORIGX2
BALL::PDB::RECORD_TYPE_FORMAT
BALL_EXPORT const RecordTypeFormat RECORD_TYPE_FORMAT[]
BALL::PDB::RecordATOM::temperature_factor
Real temperature_factor
Definition: PDBdefs.h:406
BALL::PDB::RECORD_TAG_AUTHOR
BALL_EXPORT const char * RECORD_TAG_AUTHOR
BALL::PDB::String2
char String2[3]
Definition: PDBdefs.h:313
BALL::PDB::RecordCONECT::record_name
RecordName record_name
Definition: PDBdefs.h:462
BALL::PDB::LString4
char LString4[5]
Definition: PDBdefs.h:277
BALL::PDB::RecordHETATM::occupancy
Real occupancy
Definition: PDBdefs.h:721
BALL::PDB::Real
double Real
Definition: PDBdefs.h:299
BALL::PDB::RecordCON064::clear
void clear()
Definition: PDBdefs.h:552
BALL::PDB::BookKeeping::atomic_coordinate_records
Size atomic_coordinate_records
Definition: PDBdefs.h:1218
BALL::PDB::RecordSHEET::terminal_residue
Residue terminal_residue
Definition: PDBdefs.h:1016
BALL::PDB::RecordTURN::turn_ID
LString3 turn_ID
Definition: PDBdefs.h:1176
BALL::PDB::Structure::AtomEntry
Definition: PDBdefs.h:1248
BALL::PDB::Structure::UnitCellInfo::b
Real b
Definition: PDBdefs.h:1274
BALL::PDB::RecordORIGX1
Definition: PDBdefs.h:891
BALL::PDB::Structure::UnitCellInfo::a
Real a
Definition: PDBdefs.h:1273
BALL::PDB::RecordFORMUL::component_number
Integer component_number
Definition: PDBdefs.h:647
BALL::PDB::RecordEND
Definition: PDBdefs.h:621
BALL::PDB::FORMAT_OBSLTE
BALL_EXPORT const char * FORMAT_OBSLTE
BALL::PDB::RecordSPRSDE::continuation
Continuation continuation
Definition: PDBdefs.h:1121
common.h
BALL::PDB::RECORD_TYPE__SHEET
@ RECORD_TYPE__SHEET
Definition: PDBdefs.h:107
BALL::PDB::RecordSCALE2::record_type
RecordType record_type
Definition: PDBdefs.h:942
BALL::PDB::RecordSEQADV::db_seq
Integer db_seq
Definition: PDBdefs.h:965
BALL::PDB::RecordSIGUIJ::sig13
Integer sig13
Definition: PDBdefs.h:1071
BALL::PDB::AChar
char AChar
Definition: PDBdefs.h:255
BALL::PDB::RecordMASTER::number_of_REMARK_records
Integer number_of_REMARK_records
Definition: PDBdefs.h:810
BALL::PDB::RecordSIGATM::standard_occupancy_deviation
Real standard_occupancy_deviation
Definition: PDBdefs.h:1051
BALL::PDB::FORMAT_SSBOND
BALL_EXPORT const char * FORMAT_SSBOND
BALL::PDB::RecordTURN::initial_residue
Residue initial_residue
Definition: PDBdefs.h:1177
BALL::PDB::RECORD_TYPE__SIGATM
@ RECORD_TYPE__SIGATM
Definition: PDBdefs.h:108
BALL::PDB::LString8
char LString8[9]
Definition: PDBdefs.h:285
BALL::PDB::RecordTVECT
Definition: PDBdefs.h:1197
BALL::PDB::RECORD_TYPE__SITE
@ RECORD_TYPE__SITE
Definition: PDBdefs.h:110
BALL::PDB::RECORD_TYPE__KEYWDS
@ RECORD_TYPE__KEYWDS
Definition: PDBdefs.h:88
BALL::PDB::FORMAT_CRYST1
BALL_EXPORT const char * FORMAT_CRYST1
BALL::PDB::RecordMTRIX2
Definition: PDBdefs.h:863
BALL::PDB::RecordDBREF::EndingSequence
Definition: PDBdefs.h:598
BALL::PDB::BookKeeping::sheet_records
Size sheet_records
Definition: PDBdefs.h:1214
BALL::PDB::RecordSCALE2
Definition: PDBdefs.h:941
BALL::PDB::RecordHETNAM::record_name
RecordName record_name
Definition: PDBdefs.h:732
matrix44.h
BALL::PDB::RecordSEQRES::number_of_residues_in_chain
Integer number_of_residues_in_chain
Definition: PDBdefs.h:976
BALL::PDB::RecordMASTER::RecordMASTER
RecordMASTER()
Definition: PDBdefs.h:823
BALL::PDB::RecordKEYWDS::record_name
RecordName record_name
Definition: PDBdefs.h:785
BALL::PDB::RecordHELIX
Definition: PDBdefs.h:675
BALL::PDB::RecordANISOU::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:381
BALL::PDB::RecordANISOU
Definition: PDBdefs.h:376
BALL::PDB::Integer
long Integer
Definition: PDBdefs.h:267
BALL::PDB::RECORD_TAG_ORIGX3
BALL_EXPORT const char * RECORD_TAG_ORIGX3
BALL::PDB::RecordMTRIX3::record_name
RecordName record_name
Definition: PDBdefs.h:874
BALL::PDB::BookKeeping::clear
void clear()
Definition: PDBdefs.h:1228
BALL::PDB::RecordKEYWDS::keywords
PDBList keywords
Definition: PDBdefs.h:787
BALL::PDB::RecordCON06::record_name
RecordName record_name
Definition: PDBdefs.h:484
BALL::PDB::RecordHEADER::record_type
RecordType record_type
Definition: PDBdefs.h:666
BALL::PDB::RecordSEQADV::id_code
IDcode id_code
Definition: PDBdefs.h:960
BALL::PDB::RecordANISOU::serial_number
Integer serial_number
Definition: PDBdefs.h:379
BALL::PDB::RecordTER::serial_number
Integer serial_number
Definition: PDBdefs.h:1155
BALL::PDB::RECORD_TYPE__MTRIX3
@ RECORD_TYPE__MTRIX3
Definition: PDBdefs.h:95
BALL::PDB::RecordHET::text
PDBString text
Definition: PDBdefs.h:708
residue.h
BALL::PDB::LString7
char LString7[8]
Definition: PDBdefs.h:283
BALL::PDB::Residue::insertion_code
AChar insertion_code
Definition: PDBdefs.h:345
BALL::PDB::RecordSOURCE::record_type
RecordType record_type
Definition: PDBdefs.h:1110
BALL::PDB::RecordHELIX::record_name
RecordName record_name
Definition: PDBdefs.h:677
BALL::PDB::RecordFTNOTE::text
PDBString text
Definition: PDBdefs.h:660
BALL::PDB::Structure::clear
void clear()
Definition: PDBdefs.h:1319
BALL::PDB::RecordREMARK::text
LString text
Definition: PDBdefs.h:916
BALL::PDB::RecordCON06::record_type
RecordType record_type
Definition: PDBdefs.h:483
BALL::PDB::FORMAT_MODRES
BALL_EXPORT const char * FORMAT_MODRES
BALL::PDB::Structure::hydrogen_bonds
std::vector< const Bond * > hydrogen_bonds
Definition: PDBdefs.h:1312
BALL::PDB::RecordMODRES::record_type
RecordType record_type
Definition: PDBdefs.h:845
BALL::PDB::RECORD_TYPE__MTRIX2
@ RECORD_TYPE__MTRIX2
Definition: PDBdefs.h:94
BALL::PDB::RecordHETSYN::record_name
RecordName record_name
Definition: PDBdefs.h:742
BALL::PDB::BookKeeping::helix_records
Size helix_records
Definition: PDBdefs.h:1213
BALL::PDB::RECORD_TYPE__ENDMDL
@ RECORD_TYPE__ENDMDL
Definition: PDBdefs.h:76
BALL::PDB::BookKeeping::seqres_records
Size seqres_records
Definition: PDBdefs.h:1221
BALL::PDB::FORMAT_MTRIX3
BALL_EXPORT const char * FORMAT_MTRIX3
BALL::PDB::RecordMTRIX2::record_name
RecordName record_name
Definition: PDBdefs.h:865
BALL::PDB::LString6
char LString6[7]
Definition: PDBdefs.h:281
BALL::PDB::AdditionalAtomInfo::current_residue
const ::BALL::Residue * current_residue
Definition: PDBdefs.h:1336
BALL::PDB::NUMBER_OF_REGISTERED_RECORD_TYPES
@ NUMBER_OF_REGISTERED_RECORD_TYPES
Definition: PDBdefs.h:120
BALL::PDB::RecordCOMPND::continuation
Continuation continuation
Definition: PDBdefs.h:453
BALL::PDB::RecordHETATM::record_name
RecordName record_name
Definition: PDBdefs.h:715
BALL::PDB::RECORD_TAG_HETATM
BALL_EXPORT const char * RECORD_TAG_HETATM
BALL::PDB::RECORD_TAG_TURN
BALL_EXPORT const char * RECORD_TAG_TURN
BALL::PDB::RecordTURN::clear
void clear()
Definition: PDBdefs.h:1182
BALL::PDB::AdditionalAtomInfo::current_chain
const Chain * current_chain
Definition: PDBdefs.h:1335
BALL::PDB::AdditionalAtomInfo::residue_id
Integer residue_id
Definition: PDBdefs.h:1337
BALL::PDB::RecordTITLE
Definition: PDBdefs.h:1162
BALL::PDB::RecordMODRES
Definition: PDBdefs.h:844
BALL::PDB::RecordDBREF
Definition: PDBdefs.h:585
BALL::PDB::RecordSEQRES::serial_number
Integer serial_number
Definition: PDBdefs.h:974
BALL::PDB::RecordANISOU::element_symbol
LString2 element_symbol
Definition: PDBdefs.h:390
BALL::PDB::RecordATOM::element_symbol
LString2 element_symbol
Definition: PDBdefs.h:408
BALL::PDB::RecordATOM::record_name
RecordName record_name
Definition: PDBdefs.h:399
BALL::PDB::RecordCON062::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:517
BALL::PDB::RECORD_TAG_CONECT
BALL_EXPORT const char * RECORD_TAG_CONECT
BALL::PDB::RecordSHEET::strand_number
Integer strand_number
Definition: PDBdefs.h:1012
BALL::PDB::BookKeeping::turn_records
Size turn_records
Definition: PDBdefs.h:1215
BALL::PDB::RecordSPRSDE
Definition: PDBdefs.h:1118
BALL::PDB::RECORD_TAG_MASTER
BALL_EXPORT const char * RECORD_TAG_MASTER
BALL::PDB::RecordATOM::serial_number
Integer serial_number
Definition: PDBdefs.h:400
BALL::PDB::RecordLINK::LinkPartner
Definition: PDBdefs.h:796
BALL::PDB::RECORD_TYPE__CON06
@ RECORD_TYPE__CON06
Definition: PDBdefs.h:68
BALL::PDB::RecordCON064
Definition: PDBdefs.h:546
BALL::PDB::FORMAT_HELIX
BALL_EXPORT const char * FORMAT_HELIX
BALL::PDB::RECORD_TYPE__AUTHOR
@ RECORD_TYPE__AUTHOR
Definition: PDBdefs.h:63
BALL::PDB::RecordDBREF::record_type
RecordType record_type
Definition: PDBdefs.h:586
BALL::PDB::RecordLINK::second_atom
SymmetryOperator second_atom
Definition: PDBdefs.h:803
BALL::PDB::FORMAT_CISPEP
BALL_EXPORT const char * FORMAT_CISPEP
BALL::PDB::RecordORIGX3::record_type
RecordType record_type
Definition: PDBdefs.h:906
BALL::PDB::RecordTURN::RecordTURN
RecordTURN()
Definition: PDBdefs.h:1181
BALL::PDB::RecordCRYST1::record_type
RecordType record_type
Definition: PDBdefs.h:566
BALL::PDB::LString21
char LString21[22]
Definition: PDBdefs.h:297
BALL::PDB::RecordCRYST1::record_name
RecordName record_name
Definition: PDBdefs.h:567
BALL::PDB::FORMAT_AUTHOR
BALL_EXPORT const char * FORMAT_AUTHOR
BALL::PDB::FORMAT_CON06_2
BALL_EXPORT const char * FORMAT_CON06_2
BALL::PDB::RECORD_TYPE__OBSLTE
@ RECORD_TYPE__OBSLTE
Definition: PDBdefs.h:96
BALL::PDB::RecordTITLE::continuation
Continuation continuation
Definition: PDBdefs.h:1165
BALL::PDB::RECORD_TAG_ATOM
BALL_EXPORT const char * RECORD_TAG_ATOM
BALL::PDB::RECORD_TYPE__EXPDTA
@ RECORD_TYPE__EXPDTA
Definition: PDBdefs.h:77
BALL::PDB::RecordHETATM::serial_number
Integer serial_number
Definition: PDBdefs.h:716
BALL::PDB::RecordJRNL::text
LString text
Definition: PDBdefs.h:779
BALL::PDB::RECORD_TAG_SHEET
BALL_EXPORT const char * RECORD_TAG_SHEET
BALL::PDB::RECORD_TAG_SEQADV
BALL_EXPORT const char * RECORD_TAG_SEQADV
BALL::PDB::RecordMASTER::zero
Integer zero
Definition: PDBdefs.h:811
BALL::PDB::RECORD_TAG_SIGUIJ
BALL_EXPORT const char * RECORD_TAG_SIGUIJ
BALL::PDB::RECORD_TAG_CON064
BALL_EXPORT const char * RECORD_TAG_CON064
BALL::PDB::AdditionalAtomInfo::number
Position number
Definition: PDBdefs.h:1342
BALL::PDB::RecordCONECT::record_type
RecordType record_type
Definition: PDBdefs.h:461
BALL::PDB::RecordSIGATM::standard_temperature_deviation
Real standard_temperature_deviation
Definition: PDBdefs.h:1052
BALL::PDB::FORMAT_JRNL
BALL_EXPORT const char * FORMAT_JRNL
BALL::PDB::RecordSOURCE::sources
SpecificationList sources
Definition: PDBdefs.h:1113
BALL::PDB::FORMAT_REMARK
BALL_EXPORT const char * FORMAT_REMARK
BALL::PDB::RECORD_TAG_TITLE
BALL_EXPORT const char * RECORD_TAG_TITLE
BALL::Atom::getSecondaryStructure
const SecondaryStructure * getSecondaryStructure() const
BALL::PDB::RecordOBSLTE::record_type
RecordType record_type
Definition: PDBdefs.h:882
BALL::PDB::BookKeeping::het_records
Size het_records
Definition: PDBdefs.h:1212
BALL::PDB::RECORD_TYPE__SCALE1
@ RECORD_TYPE__SCALE1
Definition: PDBdefs.h:102
BALL::PDB::RECORD_TYPE__UNKNOWN
@ RECORD_TYPE__UNKNOWN
Definition: PDBdefs.h:60
BALL::PDB::RecordDBREF::record_name
RecordName record_name
Definition: PDBdefs.h:587
BALL::PDB::RecordSLTBRG::PartnerAtom::residue
Residue residue
Definition: PDBdefs.h:1099
BALL::PDB::RECORD_TAG_MODRES
BALL_EXPORT const char * RECORD_TAG_MODRES
BALL::PDB::RECORD_TAG_SCALE2
BALL_EXPORT const char * RECORD_TAG_SCALE2
BALL::PDB::FORMAT_SHEET
BALL_EXPORT const char * FORMAT_SHEET
BALL::PDB::FORMAT_KEYWDS
BALL_EXPORT const char * FORMAT_KEYWDS
BALL::PDB::Specification
char Specification[SIZE_OF_PDB_RECORD_LINE+1]
Definition: PDBdefs.h:307
BALL::PDB::RecordCON061::record_type
RecordType record_type
Definition: PDBdefs.h:499
BALL::PDB::Residue
Definition: PDBdefs.h:341
BALL::PDB::RecordMASTER::clear
void clear()
Definition: PDBdefs.h:824
BALL::PDB::AdditionalAtomInfo::pdb_id
LString4 pdb_id
Definition: PDBdefs.h:1341
BALL::PDB::BookKeeping::conect_records
Size conect_records
Definition: PDBdefs.h:1220
BALL::PDB::AdditionalAtomInfo
Definition: PDBdefs.h:1334
BALL::PDB::RecordSIGATM::residue
Residue residue
Definition: PDBdefs.h:1049
BALL::PDB::RecordMTRIX2::is_given
Integer is_given
Definition: PDBdefs.h:868
BALL::PDB::RecordATOM::partial_charge
LString4 partial_charge
Definition: PDBdefs.h:410
BALL::PDB::RecordSEQADV::record_type
RecordType record_type
Definition: PDBdefs.h:958
BALL::PDB::RecordREVDAT
Definition: PDBdefs.h:920
BALL::PDB::Structure::UnitCellInfo::c
Real c
Definition: PDBdefs.h:1275
BALL::PDB::RecordTITLE::record_type
RecordType record_type
Definition: PDBdefs.h:1163
BALL::PDB::RecordHEADER::deposition_date
Date deposition_date
Definition: PDBdefs.h:669
BALL::PDB::RecordFTNOTE
Definition: PDBdefs.h:656
BALL::PDB::RecordJRNL::record_type
RecordType record_type
Definition: PDBdefs.h:777
BALL::PDB::Residue::set
void set(const ::BALL::Residue &residue)
Definition: PDBdefs.h:355
BALL::PDB::RecordSIGATM::charge
LString2 charge
Definition: PDBdefs.h:1055
BALL::PDB::RecordTVECT::serial_number
Integer serial_number
Definition: PDBdefs.h:1200
BALL::PDB::RecordSPRSDE::id_code
IDcode id_code
Definition: PDBdefs.h:1123
BALL::PDB::RecordDBREF::sequence_database_ID_code
LString12 sequence_database_ID_code
Definition: PDBdefs.h:604
BALL::PDB::RecordANISOU::u23
Integer u23
Definition: PDBdefs.h:388
BALL::PDB::RecordHETATM::temperature_factor
Real temperature_factor
Definition: PDBdefs.h:722
BALL::PDB::RecordFORMUL::continuation_number
Integer continuation_number
Definition: PDBdefs.h:649
BALL::PDB::RECORD_TAG_TER
BALL_EXPORT const char * RECORD_TAG_TER
BALL::PDB::RecordCOMPND::record_type
RecordType record_type
Definition: PDBdefs.h:451
BALL::PDB::FORMAT_SPRSDE
BALL_EXPORT const char * FORMAT_SPRSDE
BALL::PDB::FORMAT_ANISOU
BALL_EXPORT const char * FORMAT_ANISOU
BALL::PDB::RECORD_TYPE__ORIGX1
@ RECORD_TYPE__ORIGX1
Definition: PDBdefs.h:97
BALL::PDB::RECORD_TAG_CON06
BALL_EXPORT const char * RECORD_TAG_CON06
BALL::PDB::RecordAUTHOR::record_type
RecordType record_type
Definition: PDBdefs.h:417
BALL::PDB::RECORD_TYPE__HET
@ RECORD_TYPE__HET
Definition: PDBdefs.h:82
BALL::PDB::RecordEND::record_type
RecordType record_type
Definition: PDBdefs.h:622
BALL::PDB::RecordSCALE3::record_name
RecordName record_name
Definition: PDBdefs.h:951
BALL::PDB::RecordHELIX::serial_number
Integer serial_number
Definition: PDBdefs.h:678
BALL::PDB::RecordMASTER::number_of_TURN_records
Integer number_of_TURN_records
Definition: PDBdefs.h:815
BALL::PDB::RecordENDMDL::record_name
RecordName record_name
Definition: PDBdefs.h:630
BALL::PDB::RecordHYDBND::record_name
RecordName record_name
Definition: PDBdefs.h:752
BALL::PDB::RecordCON062::record_name
RecordName record_name
Definition: PDBdefs.h:516
BALL::PDB::RecordCONECT::atom_serial_number
Integer atom_serial_number
Definition: PDBdefs.h:463
BALL::PDB::RecordSIGATM::alternate_location_indicator
Character alternate_location_indicator
Definition: PDBdefs.h:1048
BALL::PDB::RecordKEYWDS::continuation
Continuation continuation
Definition: PDBdefs.h:786
BALL::PDB::BookKeeping::ter_records
Size ter_records
Definition: PDBdefs.h:1219
BALL::PDB::RecordSIGUIJ::charge
LString2 charge
Definition: PDBdefs.h:1075
BALL::PDB::Structure::UnitCellInfo::beta
Real beta
Definition: PDBdefs.h:1277
BALL::PDB::RecordAUTHOR::authors
PDBList authors
Definition: PDBdefs.h:420
BALL::PDB::RecordHEADER::ID_code
IDcode ID_code
Definition: PDBdefs.h:670
BALL::PDB::FORMAT_ATOM
BALL_EXPORT const char * FORMAT_ATOM
BALL::PDB::String5
char String5[6]
Definition: PDBdefs.h:319
BALL::PDB::RecordCAVEAT::entry_code
IDcode entry_code
Definition: PDBdefs.h:430
BALL::PDB::Structure::atoms
std::vector< AtomEntry > atoms
Definition: PDBdefs.h:1309
BALL::PDB::RECORD_TAG_CON062
BALL_EXPORT const char * RECORD_TAG_CON062
BALL::PDB::RECORD_TYPE__SEQRES
@ RECORD_TYPE__SEQRES
Definition: PDBdefs.h:106
BALL::PDB::RecordREVDAT::record_name
RecordName record_name
Definition: PDBdefs.h:922
BALL::PDB::SIZE_OF_PDB_LINE_BUFFER
@ SIZE_OF_PDB_LINE_BUFFER
Definition: PDBdefs.h:52
BALL::PDB::RecordEND::record_name
RecordName record_name
Definition: PDBdefs.h:623
BALL::PDB::FORMAT_TVECT
BALL_EXPORT const char * FORMAT_TVECT