Package MolKit :: Module pdbWriter :: Class PdbqtWriter

Class PdbqtWriter

moleculeWriter.MoleculeWriter --+        
                                |        
                        PdbWriter --+    
                                    |    
                           PdbqWriter --+
                                        |
                                       PdbqtWriter

Class to write data records from a molecule tree to a pdbq file. Has methods for the user to add own records and to write the record.

Instance Methods

[hide private]

__init__(self)
Constructor:

defineATOM_HETATMRecord(self, atm)
Define the ATOM or HETATM rec for the given atm