PDBdefs.h File Reference

#include <BALL/common.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/KERNEL/secondaryStructure.h>
#include <BALL/KERNEL/chain.h>
#include <BALL/KERNEL/residue.h>
#include <BALL/DATATYPE/hashSet.h>

Go to the source code of this file.


Classes

struct  BALL::PDB::RecordTypeFormat
struct  BALL::PDB::Residue
struct  BALL::PDB::RecordUNKNOWN
struct  BALL::PDB::RecordANISOU
struct  BALL::PDB::RecordATOM
struct  BALL::PDB::RecordAUTHOR
struct  BALL::PDB::RecordCAVEAT
struct  BALL::PDB::RecordCISPEP
struct  BALL::PDB::RecordCOMPND
struct  BALL::PDB::RecordCONECT
struct  BALL::PDB::RecordCRYST1
struct  BALL::PDB::RecordCRYST1::UnitCell
struct  BALL::PDB::RecordDBREF
struct  BALL::PDB::RecordDBREF::InitialSequence
struct  BALL::PDB::RecordDBREF::EndingSequence
struct  BALL::PDB::RecordDBREF::InitialDatabaseSegment
struct  BALL::PDB::RecordDBREF::EndingDatabaseSegment
struct  BALL::PDB::RecordEND
struct  BALL::PDB::RecordENDMDL
struct  BALL::PDB::RecordEXPDTA
struct  BALL::PDB::RecordFORMUL
struct  BALL::PDB::RecordFTNOTE
struct  BALL::PDB::RecordHEADER
struct  BALL::PDB::RecordHELIX
struct  BALL::PDB::RecordHET
struct  BALL::PDB::RecordHETATM
struct  BALL::PDB::RecordHETNAM
struct  BALL::PDB::RecordHETSYN
struct  BALL::PDB::RecordHYDBND
struct  BALL::PDB::RecordHYDBND::HydrogenPartnerAtom
struct  BALL::PDB::RecordHYDBND::HydrogenAtom
struct  BALL::PDB::RecordJRNL
struct  BALL::PDB::RecordKEYWDS
struct  BALL::PDB::RecordLINK
struct  BALL::PDB::RecordLINK::LinkPartner
struct  BALL::PDB::RecordMASTER
struct  BALL::PDB::RecordMODEL
struct  BALL::PDB::RecordMODRES
struct  BALL::PDB::RecordMTRIX1
struct  BALL::PDB::RecordMTRIX2
struct  BALL::PDB::RecordMTRIX3
struct  BALL::PDB::RecordOBSLTE
struct  BALL::PDB::RecordORIGX1
struct  BALL::PDB::RecordORIGX2
struct  BALL::PDB::RecordORIGX3
struct  BALL::PDB::RecordREMARK
struct  BALL::PDB::RecordREVDAT
struct  BALL::PDB::RecordSCALE1
struct  BALL::PDB::RecordSCALE2
struct  BALL::PDB::RecordSCALE3
struct  BALL::PDB::RecordSEQADV
struct  BALL::PDB::RecordSEQRES
struct  BALL::PDB::RecordSHEET
struct  BALL::PDB::RecordSIGATM
struct  BALL::PDB::RecordSIGUIJ
struct  BALL::PDB::RecordSITE
struct  BALL::PDB::RecordSLTBRG
struct  BALL::PDB::RecordSLTBRG::PartnerAtom
struct  BALL::PDB::RecordSOURCE
struct  BALL::PDB::RecordSPRSDE
struct  BALL::PDB::RecordSSBOND
struct  BALL::PDB::RecordTER
struct  BALL::PDB::RecordTITLE
struct  BALL::PDB::RecordTURN
struct  BALL::PDB::RecordTVECT
struct  BALL::PDB::BookKeeping
struct  BALL::PDB::Structure
struct  BALL::PDB::Structure::AtomEntry
struct  BALL::PDB::Structure::ConectAtomList
struct  BALL::PDB::AdditionalAtomInfo

Namespaces

namespace  BALL
namespace  BALL::PDB

Typedefs

Some typedefs for simplifying parsing.
typedef char BALL::PDB::AChar
typedef char BALL::PDB::Atom [5]
typedef char BALL::PDB::Character
typedef long BALL::PDB::Continuation
typedef char BALL::PDB::Date [10]
typedef char BALL::PDB::IDcode [5]
typedef long BALL::PDB::Integer
typedef char BALL::PDB::PDBList [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::LString [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::LString2 [3]
typedef char BALL::PDB::LString3 [4]
typedef char BALL::PDB::LString4 [5]
typedef char BALL::PDB::LString5 [6]
typedef char BALL::PDB::LString6 [7]
typedef char BALL::PDB::LString7 [8]
typedef char BALL::PDB::LString8 [9]
typedef char BALL::PDB::LString9 [10]
typedef char BALL::PDB::LString10 [11]
typedef char BALL::PDB::LString11 [12]
typedef char BALL::PDB::LString12 [13]
typedef char BALL::PDB::LString13 [14]
typedef char BALL::PDB::LString21 [22]
typedef double BALL::PDB::Real
typedef char BALL::PDB::RecordName [7]
typedef char BALL::PDB::ResidueName [4]
typedef char BALL::PDB::SList [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::Specification [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::SpecificationList [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::PDBString [SIZE_OF_PDB_RECORD_LINE+1]
typedef char BALL::PDB::String2 [3]
typedef char BALL::PDB::String3 [4]
typedef char BALL::PDB::String4 [5]
typedef char BALL::PDB::String5 [6]
typedef char BALL::PDB::String40 [41]
typedef long BALL::PDB::SymmetryOperator

Enumerations

enum  { BALL::PDB::SIZE_OF_PDB_RECORD_LINE = 80, BALL::PDB::SIZE_OF_PDB_LINE_BUFFER = 256, BALL::PDB::SIZE_OF_FORMAT_STRING_BUFFER = 256 }
enum  BALL::PDB::RecordType {
  BALL::PDB::RECORD_TYPE__UNKNOWN = 0, BALL::PDB::RECORD_TYPE__ANISOU, BALL::PDB::RECORD_TYPE__ATOM, BALL::PDB::RECORD_TYPE__AUTHOR,
  BALL::PDB::RECORD_TYPE__CAVEAT, BALL::PDB::RECORD_TYPE__CISPEP, BALL::PDB::RECORD_TYPE__COMPND, BALL::PDB::RECORD_TYPE__CONECT,
  BALL::PDB::RECORD_TYPE__CRYST1, BALL::PDB::RECORD_TYPE__DBREF, BALL::PDB::RECORD_TYPE__END, BALL::PDB::RECORD_TYPE__ENDMDL,
  BALL::PDB::RECORD_TYPE__EXPDTA, BALL::PDB::RECORD_TYPE__FORMUL, BALL::PDB::RECORD_TYPE__FTNOTE, BALL::PDB::RECORD_TYPE__HEADER,
  BALL::PDB::RECORD_TYPE__HELIX, BALL::PDB::RECORD_TYPE__HET, BALL::PDB::RECORD_TYPE__HETATM, BALL::PDB::RECORD_TYPE__HETNAM,
  BALL::PDB::RECORD_TYPE__HETSYN, BALL::PDB::RECORD_TYPE__HYDBND, BALL::PDB::RECORD_TYPE__JRNL, BALL::PDB::RECORD_TYPE__KEYWDS,
  BALL::PDB::RECORD_TYPE__LINK, BALL::PDB::RECORD_TYPE__MASTER, BALL::PDB::RECORD_TYPE__MODEL, BALL::PDB::RECORD_TYPE__MODRES,
  BALL::PDB::RECORD_TYPE__MTRIX1, BALL::PDB::RECORD_TYPE__MTRIX2, BALL::PDB::RECORD_TYPE__MTRIX3, BALL::PDB::RECORD_TYPE__OBSLTE,
  BALL::PDB::RECORD_TYPE__ORIGX1, BALL::PDB::RECORD_TYPE__ORIGX2, BALL::PDB::RECORD_TYPE__ORIGX3, BALL::PDB::RECORD_TYPE__REMARK,
  BALL::PDB::RECORD_TYPE__REVDAT, BALL::PDB::RECORD_TYPE__SCALE1, BALL::PDB::RECORD_TYPE__SCALE2, BALL::PDB::RECORD_TYPE__SCALE3,
  BALL::PDB::RECORD_TYPE__SEQADV, BALL::PDB::RECORD_TYPE__SEQRES, BALL::PDB::RECORD_TYPE__SHEET, BALL::PDB::RECORD_TYPE__SIGATM,
  BALL::PDB::RECORD_TYPE__SIGUIJ, BALL::PDB::RECORD_TYPE__SITE, BALL::PDB::RECORD_TYPE__SLTBRG, BALL::PDB::RECORD_TYPE__SOURCE,
  BALL::PDB::RECORD_TYPE__SPRSDE, BALL::PDB::RECORD_TYPE__SSBOND, BALL::PDB::RECORD_TYPE__TER, BALL::PDB::RECORD_TYPE__TITLE,
  BALL::PDB::RECORD_TYPE__TURN, BALL::PDB::RECORD_TYPE__TVECT, BALL::PDB::NUMBER_OF_REGISTERED_RECORD_TYPES, BALL::PDB::ALL_RECORD_TYPES
}

Variables

BALL_EXPORT const RecordTypeFormat BALL::PDB::RECORD_TYPE_FORMAT []
PDB record format definitions


BALL_EXPORT const char * BALL::PDB::FORMAT_UNKNOWN
BALL_EXPORT const char * BALL::PDB::FORMAT_ANISOU
BALL_EXPORT const char * BALL::PDB::FORMAT_ATOM
BALL_EXPORT const char * BALL::PDB::FORMAT_ATOM_PARTIAL_CRG
BALL_EXPORT const char * BALL::PDB::FORMAT_AUTHOR
BALL_EXPORT const char * BALL::PDB::FORMAT_CAVEAT
BALL_EXPORT const char * BALL::PDB::FORMAT_CISPEP
BALL_EXPORT const char * BALL::PDB::FORMAT_COMPND
BALL_EXPORT const char * BALL::PDB::FORMAT_CONECT
BALL_EXPORT const char * BALL::PDB::FORMAT_CRYST1
BALL_EXPORT const char * BALL::PDB::FORMAT_DBREF
BALL_EXPORT const char * BALL::PDB::FORMAT_END
BALL_EXPORT const char * BALL::PDB::FORMAT_ENDMDL
BALL_EXPORT const char * BALL::PDB::FORMAT_EXPDTA
BALL_EXPORT const char * BALL::PDB::FORMAT_FORMUL
BALL_EXPORT const char * BALL::PDB::FORMAT_FTNOTE
BALL_EXPORT const char * BALL::PDB::FORMAT_HEADER
BALL_EXPORT const char * BALL::PDB::FORMAT_HELIX
BALL_EXPORT const char * BALL::PDB::FORMAT_HET
BALL_EXPORT const char * BALL::PDB::FORMAT_HETATM
BALL_EXPORT const char * BALL::PDB::FORMAT_HETNAM
BALL_EXPORT const char * BALL::PDB::FORMAT_HETSYN
BALL_EXPORT const char * BALL::PDB::FORMAT_HYDBND
BALL_EXPORT const char * BALL::PDB::FORMAT_JRNL
BALL_EXPORT const char * BALL::PDB::FORMAT_KEYWDS
BALL_EXPORT const char * BALL::PDB::FORMAT_LINK
BALL_EXPORT const char * BALL::PDB::FORMAT_MASTER
BALL_EXPORT const char * BALL::PDB::FORMAT_MODEL
BALL_EXPORT const char * BALL::PDB::FORMAT_MODRES
BALL_EXPORT const char * BALL::PDB::FORMAT_MTRIX1
BALL_EXPORT const char * BALL::PDB::FORMAT_MTRIX2
BALL_EXPORT const char * BALL::PDB::FORMAT_MTRIX3
BALL_EXPORT const char * BALL::PDB::FORMAT_OBSLTE
BALL_EXPORT const char * BALL::PDB::FORMAT_ORIGX1
BALL_EXPORT const char * BALL::PDB::FORMAT_ORIGX2
BALL_EXPORT const char * BALL::PDB::FORMAT_ORIGX3
BALL_EXPORT const char * BALL::PDB::FORMAT_REMARK
BALL_EXPORT const char * BALL::PDB::FORMAT_REVDAT
BALL_EXPORT const char * BALL::PDB::FORMAT_SCALE1
BALL_EXPORT const char * BALL::PDB::FORMAT_SCALE2
BALL_EXPORT const char * BALL::PDB::FORMAT_SCALE3
BALL_EXPORT const char * BALL::PDB::FORMAT_SEQADV
BALL_EXPORT const char * BALL::PDB::FORMAT_SEQRES
BALL_EXPORT const char * BALL::PDB::FORMAT_SHEET
BALL_EXPORT const char * BALL::PDB::FORMAT_SIGATM
BALL_EXPORT const char * BALL::PDB::FORMAT_SIGUIJ
BALL_EXPORT const char * BALL::PDB::FORMAT_SITE
BALL_EXPORT const char * BALL::PDB::FORMAT_SLTBRG
BALL_EXPORT const char * BALL::PDB::FORMAT_SOURCE
BALL_EXPORT const char * BALL::PDB::FORMAT_SPRSDE
BALL_EXPORT const char * BALL::PDB::FORMAT_SSBOND
BALL_EXPORT const char * BALL::PDB::FORMAT_TER
BALL_EXPORT const char * BALL::PDB::FORMAT_TITLE
BALL_EXPORT const char * BALL::PDB::FORMAT_TURN
BALL_EXPORT const char * BALL::PDB::FORMAT_TVECT
PDB record tag names


BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ANISOU
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ATOM
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_AUTHOR
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CAVEAT
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CISPEP
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_COMPND
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CONECT
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CRYST1
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_DBREF
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_END
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ENDMDL
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_EXPDTA
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_FORMUL
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_FTNOTE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HEADER
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HELIX
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HET
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HETATM
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HETNAM
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HETSYN
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_HYDBND
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_JRNL
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_KEYWDS
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_LINK
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MASTER
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MODEL
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MODRES
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MTRIX1
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MTRIX2
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_MTRIX3
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_OBSLTE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ORIGX1
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ORIGX2
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_ORIGX3
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_REMARK
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_REVDAT
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SCALE1
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SCALE2
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SCALE3
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SEQADV
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SEQRES
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SHEET
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SIGATM
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SIGUIJ
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SITE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SLTBRG
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SOURCE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SPRSDE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_SSBOND
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_TER
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_TITLE
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_TURN
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_TVECT