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::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::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[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__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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