# 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)