io_data.water — whether to read water molecules

If set to True, then water molecules are read. (For PDB or mmCIF files, this is regardless of whether they are in 'ATOM' or 'HETATM' records.) Ordinarily, they are ignored. (See '${LIB}/restyp.lib' for the definition of a water molecule used by MODELLER.



Automatic builds 2018-12-06