PEATDB/Ekin/Titration.py
def save_PEAT_Structure(cls, peatdata, protein):
        """Save a PDB file from a Structure cell"""
        pdblines,X = cls.getPDBfromPEAT(peatdata, protein)
        if pdblines == None:
            return None
        import os
        filename=os.path.join(os.getcwd(),'temp')
        if filename:
            if filename[-4:]!='.pdb':
                filename=filename+'.pdb'
            fd=open(filename,'w')
            for line in pdblines:
                fd.write(line)
            fd.close()
        return filename
Save a PDB file from a Structure cell
Save a PDB file from a Structure cell
Save a PDB file from a Structure cell
def save_PEAT_Structure(cls, peatdata, protein):
        pdblines,X = cls.getPDBfromPEAT(peatdata, protein)
        if pdblines == None:
            return None
        import os
        filename=os.path.join(os.getcwd(),'temp')
        if filename:
            if filename[-4:]!='.pdb':
                filename=filename+'.pdb'
            fd=open(filename,'w')
            for line in pdblines:
                fd.write(line)
            fd.close()
        return filename
def save_PEAT_Structure ( cls , peatdata , protein ) : pdblines , X = cls . getPDBfromPEAT ( peatdata , protein ) if pdblines == None : return None import os filename = os . path . join ( os . getcwd ( ) , 'temp' ) if filename : if filename [ - 4 : ] != '.pdb' : filename = filename + '.pdb' fd = open ( filename , 'w' ) for line in pdblines : fd . write ( line ) fd . close ( ) return filename
Save a PDB file from a Structure cell
Save a PDB file from a Structure cell
"""Save a PDB file from a Structure cell"""
cls
peatdata
protein