pdbFile
- Structure
- pdbFile
- This structure is used to treat a pdb File.
- pdbFile pdb;
-
- pdb.PDB->ResidueSequenceNumber
- pdb.PDB->Coord.x
- pdb.PDB->Coord.y
- File
- pdbFileRead (fpt, &pdb)
- pdbFileWrite(fpt, &pdb)
- Check
- pdbFileIsAtom
- if(pdbFileIsAtom(&pdb)) { }
- pdbFileIsCA
- if(pdbFileIsCA(&pdb)) { }
- pdbFileIsEndLine
- if(pdbFileIsEndLine(&pdb)) { }
- pdbRecordisNearby : Adjacent Residue or not
- if(pdbRecordisNearby(&pdbRecord, &pdbRecord)) { }
- pdbFileIsHelix
- if(pdbFileIsHelix(&pdb)) { }
- pdbFileIsSheet
- if(pdbFileIsSheet(&pdb)) { }
- pdbFileIsTurn
- if(pdbFileIsTurn(&pdb)) { }
- pdbFileIsNegative
- if(pdbFileIsNegative(&pdb)) { }
- pdbFileIsPositive
- if(pdbFileIsPositive(&pdb)) { }
- pdbFileIsCharge
- if(pdbFileIsCharge(&pdb)) { }
- Check2
- lpdbDistanceCheck : mode 0: Near 1: Far ; compare the distance between pdb->current with p v.s. distance
- if(lpdbDistanceCheck(&pdb, p, distance, mode)) {
- lpdbDistanceNear
- if(lpdbDistanceNear(&pdb, p, distance, mode)) {
- lpdbDistanceFar
- if(lpdbDistanceFar(&pdb, p, distance, mode)) {
- Get and Set
Get
- pdbFileCoordGet(&pdb, &x, &y, &z)
- unsigned char pdbFileChainIdentifierGet(&pdb)
- pdbFileResidueSequenceNumberGet(&pdb)
- char* pdbFileResidueNameGet(&pdb,mode)
Set
- pdbFileCoordSet(&pdb, x, y, z)
- pdbFileChainIdentifierSetAll(&pdb, c)
- pdbFileChainIdentifierSet(&pdb, c)
- pdbFileTemperatureFactorSet(&pdb, (double)temp)
- Seeking
- pdbFileTop(&pdb)
- pdbFileNext(&pdb)
- pdbFileNextAtom(&pdb)
- pdbFileNextCA(&pdb)
- pdbFileNextProtein(&pdb)
- pdbFileEnd(&pdb)
- New, append etc.
- pdbFileNew(&pdb)
- pdbFileAppend(&pdb)
- pdbFileFree(&pdb)
- Print
- pdbFilePrint(fpt, &pdb);
- pdbFileRecordPrint(fpt, &pdb);
- pdbFileRecordTablePrint(fpt, &pdb);
- Copy
- pdbFileOneRecordCopy(&pdb, &src)
- pdbFileCAOnlyCopyAll(&pdb, &src)
- pdbFileCopyAll(&pdb, &src)
- pdbFileOneProteinCopy(&pdb, &src, num)
- pdbFileCAOnlyCopyAll(&pdb, &src)
- Translation and rotation
- pdbTrans
- pdbMatrixFileRead
- pdbMatrixFileWrite
- pdbMatrixFileFormat
- Transform
- lpdb2mrc3d
- lpdb2mrc3d(&mrc, &pdb, &linfo, mode)