Classes |
|
| struct | BookKeeping |
| This struct contains the number of
records in a PDB file as required for the
MASTER record. More... |
|
| struct | AdditionalAtomInfo |
| A structure tracking the current
values of all auxiliary information required to write ATOM
or HETATM records. More... |
|
Typedefs |
|
|
Some typedefs for simplifying parsing.
|
|
| typedef char | AChar |
| typedef char | Atom [5] |
| typedef char | Character |
| typedef long | Continuation |
| typedef char | Date [10] |
| typedef char | IDcode [5] |
| typedef long | Integer |
| typedef char | PDBList [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | LString [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | LString2 [3] |
| typedef char | LString3 [4] |
| typedef char | LString4 [5] |
| typedef char | LString5 [6] |
| typedef char | LString6 [7] |
| typedef char | LString7 [8] |
| typedef char | LString8 [9] |
| typedef char | LString9 [10] |
| typedef char | LString10 [11] |
| typedef char | LString11 [12] |
| typedef char | LString12 [13] |
| typedef char | LString13 [14] |
| typedef char | LString21 [22] |
| typedef double | Real |
| typedef char | RecordName [7] |
| typedef char | ResidueName [4] |
| typedef char | SList [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | Specification [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | SpecificationList [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | PDBString [SIZE_OF_PDB_RECORD_LINE+1] |
| typedef char | String2 [3] |
| typedef char | String3 [4] |
| typedef char | String4 [5] |
| typedef char | String5 [6] |
| typedef char | String40 [41] |
| typedef long | SymmetryOperator |
Enumerations |
|
| enum | { SIZE_OF_PDB_RECORD_LINE = 80, SIZE_OF_PDB_LINE_BUFFER = 256, SIZE_OF_FORMAT_STRING_BUFFER = 256 } |
| enum |
RecordType { RECORD_TYPE__UNKNOWN = 0, RECORD_TYPE__ANISOU, RECORD_TYPE__ATOM, RECORD_TYPE__AUTHOR, RECORD_TYPE__CAVEAT, RECORD_TYPE__CISPEP, RECORD_TYPE__COMPND, RECORD_TYPE__CONECT, RECORD_TYPE__CRYST1, RECORD_TYPE__DBREF, RECORD_TYPE__END, RECORD_TYPE__ENDMDL, RECORD_TYPE__EXPDTA, RECORD_TYPE__FORMUL, RECORD_TYPE__FTNOTE, RECORD_TYPE__HEADER, RECORD_TYPE__HELIX, RECORD_TYPE__HET, RECORD_TYPE__HETATM, RECORD_TYPE__HETNAM, RECORD_TYPE__HETSYN, RECORD_TYPE__HYDBND, RECORD_TYPE__JRNL, RECORD_TYPE__KEYWDS, RECORD_TYPE__LINK, RECORD_TYPE__MASTER, RECORD_TYPE__MODEL, RECORD_TYPE__MODRES, RECORD_TYPE__MTRIX1, RECORD_TYPE__MTRIX2, RECORD_TYPE__MTRIX3, RECORD_TYPE__OBSLTE, RECORD_TYPE__ORIGX1, RECORD_TYPE__ORIGX2, RECORD_TYPE__ORIGX3, RECORD_TYPE__REMARK, RECORD_TYPE__REVDAT, RECORD_TYPE__SCALE1, RECORD_TYPE__SCALE2, RECORD_TYPE__SCALE3, RECORD_TYPE__SEQADV, RECORD_TYPE__SEQRES, RECORD_TYPE__SHEET, RECORD_TYPE__SIGATM, RECORD_TYPE__SIGUIJ, RECORD_TYPE__SITE, RECORD_TYPE__SLTBRG, RECORD_TYPE__SOURCE, RECORD_TYPE__SPRSDE, RECORD_TYPE__SSBOND, RECORD_TYPE__TER, RECORD_TYPE__TITLE, RECORD_TYPE__TURN, RECORD_TYPE__TVECT, NUMBER_OF_REGISTERED_RECORD_TYPES, ALL_RECORD_TYPES } |
| The record types of a PDB
file. |
|
Variables |
|
| BALL_EXPORT const RecordTypeFormat | RECORD_TYPE_FORMAT [] |
| Maps all record formats and tags to
the record type. |
|
|
PDB record format definitions
|
|
| BALL_EXPORT const char * | FORMAT_UNKNOWN |
| BALL_EXPORT const char * | FORMAT_ANISOU |
| BALL_EXPORT const char * | FORMAT_ATOM |
| BALL_EXPORT const char * | FORMAT_ATOM_PARTIAL_CRG |
| BALL_EXPORT const char * | FORMAT_AUTHOR |
| BALL_EXPORT const char * | FORMAT_CAVEAT |
| BALL_EXPORT const char * | FORMAT_CISPEP |
| BALL_EXPORT const char * | FORMAT_COMPND |
| BALL_EXPORT const char * | FORMAT_CONECT |
| BALL_EXPORT const char * | FORMAT_CRYST1 |
| BALL_EXPORT const char * | FORMAT_DBREF |
| BALL_EXPORT const char * | FORMAT_END |
| BALL_EXPORT const char * | FORMAT_ENDMDL |
| BALL_EXPORT const char * | FORMAT_EXPDTA |
| BALL_EXPORT const char * | FORMAT_FORMUL |
| BALL_EXPORT const char * | FORMAT_FTNOTE |
| BALL_EXPORT const char * | FORMAT_HEADER |
| BALL_EXPORT const char * | FORMAT_HELIX |
| BALL_EXPORT const char * | FORMAT_HET |
| BALL_EXPORT const char * | FORMAT_HETATM |
| BALL_EXPORT const char * | FORMAT_HETNAM |
| BALL_EXPORT const char * | FORMAT_HETSYN |
| BALL_EXPORT const char * | FORMAT_HYDBND |
| BALL_EXPORT const char * | FORMAT_JRNL |
| BALL_EXPORT const char * | FORMAT_KEYWDS |
| BALL_EXPORT const char * | FORMAT_LINK |
| BALL_EXPORT const char * | FORMAT_MASTER |
| BALL_EXPORT const char * | FORMAT_MODEL |
| BALL_EXPORT const char * | FORMAT_MODRES |
| BALL_EXPORT const char * | FORMAT_MTRIX1 |
| BALL_EXPORT const char * | FORMAT_MTRIX2 |
| BALL_EXPORT const char * | FORMAT_MTRIX3 |
| BALL_EXPORT const char * | FORMAT_OBSLTE |
| BALL_EXPORT const char * | FORMAT_ORIGX1 |
| BALL_EXPORT const char * | FORMAT_ORIGX2 |
| BALL_EXPORT const char * | FORMAT_ORIGX3 |
| BALL_EXPORT const char * | FORMAT_REMARK |
| BALL_EXPORT const char * | FORMAT_REVDAT |
| BALL_EXPORT const char * | FORMAT_SCALE1 |
| BALL_EXPORT const char * | FORMAT_SCALE2 |
| BALL_EXPORT const char * | FORMAT_SCALE3 |
| BALL_EXPORT const char * | FORMAT_SEQADV |
| BALL_EXPORT const char * | FORMAT_SEQRES |
| BALL_EXPORT const char * | FORMAT_SHEET |
| BALL_EXPORT const char * | FORMAT_SIGATM |
| BALL_EXPORT const char * | FORMAT_SIGUIJ |
| BALL_EXPORT const char * | FORMAT_SITE |
| BALL_EXPORT const char * | FORMAT_SLTBRG |
| BALL_EXPORT const char * | FORMAT_SOURCE |
| BALL_EXPORT const char * | FORMAT_SPRSDE |
| BALL_EXPORT const char * | FORMAT_SSBOND |
| BALL_EXPORT const char * | FORMAT_TER |
| BALL_EXPORT const char * | FORMAT_TITLE |
| BALL_EXPORT const char * | FORMAT_TURN |
| BALL_EXPORT const char * | FORMAT_TVECT |
|
PDB record tag names
|
|
| BALL_EXPORT const char * | RECORD_TAG_ANISOU |
| BALL_EXPORT const char * | RECORD_TAG_ATOM |
| BALL_EXPORT const char * | RECORD_TAG_AUTHOR |
| BALL_EXPORT const char * | RECORD_TAG_CAVEAT |
| BALL_EXPORT const char * | RECORD_TAG_CISPEP |
| BALL_EXPORT const char * | RECORD_TAG_COMPND |
| BALL_EXPORT const char * | RECORD_TAG_CONECT |
| BALL_EXPORT const char * | RECORD_TAG_CRYST1 |
| BALL_EXPORT const char * | RECORD_TAG_DBREF |
| BALL_EXPORT const char * | RECORD_TAG_END |
| BALL_EXPORT const char * | RECORD_TAG_ENDMDL |
| BALL_EXPORT const char * | RECORD_TAG_EXPDTA |
| BALL_EXPORT const char * | RECORD_TAG_FORMUL |
| BALL_EXPORT const char * | RECORD_TAG_FTNOTE |
| BALL_EXPORT const char * | RECORD_TAG_HEADER |
| BALL_EXPORT const char * | RECORD_TAG_HELIX |
| BALL_EXPORT const char * | RECORD_TAG_HET |
| BALL_EXPORT const char * | RECORD_TAG_HETATM |
| BALL_EXPORT const char * | RECORD_TAG_HETNAM |
| BALL_EXPORT const char * | RECORD_TAG_HETSYN |
| BALL_EXPORT const char * | RECORD_TAG_HYDBND |
| BALL_EXPORT const char * | RECORD_TAG_JRNL |
| BALL_EXPORT const char * | RECORD_TAG_KEYWDS |
| BALL_EXPORT const char * | RECORD_TAG_LINK |
| BALL_EXPORT const char * | RECORD_TAG_MASTER |
| BALL_EXPORT const char * | RECORD_TAG_MODEL |
| BALL_EXPORT const char * | RECORD_TAG_MODRES |
| BALL_EXPORT const char * | RECORD_TAG_MTRIX1 |
| BALL_EXPORT const char * | RECORD_TAG_MTRIX2 |
| BALL_EXPORT const char * | RECORD_TAG_MTRIX3 |
| BALL_EXPORT const char * | RECORD_TAG_OBSLTE |
| BALL_EXPORT const char * | RECORD_TAG_ORIGX1 |
| BALL_EXPORT const char * | RECORD_TAG_ORIGX2 |
| BALL_EXPORT const char * | RECORD_TAG_ORIGX3 |
| BALL_EXPORT const char * | RECORD_TAG_REMARK |
| BALL_EXPORT const char * | RECORD_TAG_REVDAT |
| BALL_EXPORT const char * | RECORD_TAG_SCALE1 |
| BALL_EXPORT const char * | RECORD_TAG_SCALE2 |
| BALL_EXPORT const char * | RECORD_TAG_SCALE3 |
| BALL_EXPORT const char * | RECORD_TAG_SEQADV |
| BALL_EXPORT const char * | RECORD_TAG_SEQRES |
| BALL_EXPORT const char * | RECORD_TAG_SHEET |
| BALL_EXPORT const char * | RECORD_TAG_SIGATM |
| BALL_EXPORT const char * | RECORD_TAG_SIGUIJ |
| BALL_EXPORT const char * | RECORD_TAG_SITE |
| BALL_EXPORT const char * | RECORD_TAG_SLTBRG |
| BALL_EXPORT const char * | RECORD_TAG_SOURCE |
| BALL_EXPORT const char * | RECORD_TAG_SPRSDE |
| BALL_EXPORT const char * | RECORD_TAG_SSBOND |
| BALL_EXPORT const char * | RECORD_TAG_TER |
| BALL_EXPORT const char * | RECORD_TAG_TITLE |
| BALL_EXPORT const char * | RECORD_TAG_TURN |
| BALL_EXPORT const char * | RECORD_TAG_TVECT |
This namespace collects some type and format definitions related to the PDB format. It is used by PDBFile and probably not of much use outside this class.
1.5.8