BALL 1.5.0
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Classes | Namespaces | Enumerations
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>
#include <BALL/MATHS/matrix44.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::RecordCON06
struct  BALL::PDB::RecordCON061
struct  BALL::PDB::RecordCON062
struct  BALL::PDB::RecordCON063
struct  BALL::PDB::RecordCON064
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::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::Structure::UnitCellInfo
struct  BALL::PDB::Structure::NCSMatrix
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
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__CON06 , BALL::PDB::RECORD_TYPE__CON061 , BALL::PDB::RECORD_TYPE__CON062 , BALL::PDB::RECORD_TYPE__CON063 ,
  BALL::PDB::RECORD_TYPE__CON064 , 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

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_CON06
BALL_EXPORT const char * BALL::PDB::FORMAT_CON06_1
BALL_EXPORT const char * BALL::PDB::FORMAT_CON06_2
BALL_EXPORT const char * BALL::PDB::FORMAT_CON06_3
BALL_EXPORT const char * BALL::PDB::FORMAT_CON06_4
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_CON06
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CON061
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CON062
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CON063
BALL_EXPORT const char * BALL::PDB::RECORD_TAG_CON064
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
Structs for storing records.
BALL_EXPORT const RecordTypeFormat BALL::PDB::RECORD_TYPE_FORMAT []
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