PDB Namespace Reference
[Molecular structure file formats]

PDB namespace. More...

Classes
struct	PDB::BookKeeping
	This struct contains the number of records in a PDB file as required for the MASTER record. More...
struct	PDB::AdditionalAtomInfo
	A structure tracking the current values of all auxiliary information required to write ATOM or HETATM records. More...
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
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
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. More...
Variables
BALL_EXPORT const RecordTypeFormat	RECORD_TYPE_FORMAT []
	Maps all record formats and tags to the record type.

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Detailed Description

PDB namespace.

This namespace collects some type and format definitions related to the PDB format. It is used by and probably not of much use outside this class.

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Enumeration Type Documentation

enum RecordType

The record types of a PDB file.

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Variable Documentation

BALL_EXPORT const RecordTypeFormat PDB::RECORD_TYPE_FORMAT[]

Maps all record formats and tags to the record type.