def saveFile(self, fileName, conteudo):
f = FcfrpFile(self._pathOut, fileName)
f.getAsFile("w")
f.write(conteudo)
f.close()
def save(self,structure,dir,fileName):
filePDB = FcfrpFile(dir, fileName)
filePDB.getAsFile("w")
#Create Remark Section
self._saveRemark(structure, filePDB)
#Create SEQRES Section
self._saveSeqRes(structure, filePDB)
#Create SSBOND Section
self._saveSSBonds(structure, filePDB)
#Create ATOM Section
iModels = 0 #index for Models
iAtom = 0 #index for atom
iRes = 0 #index for Residue
for model in structure:
#Will write Model, if there are more than 1 models.
if self._amountModels > 1:
iModels += 1
filePDB.write(self._MODEL % str(iModels))
iAtom = 0
iRes = 0
for chain in model:
for residue in chain:
iRes += 1
for atom in residue: #Atoms
iAtom += 1
self._saveAtom(iAtom,atom,residue,chain,iRes,filePDB, int(residue.id[1]))
filePDB.write(self._TER)
filePDB.write(self._ENDMDL)
filePDB.close()
