[MMTK] Re: The use of ions.

Konrad Hinsen hinsen@cnrs-orleans.fr
16 Jul 2002 18:53:45 +0200

Julien MOZZICONACCI <pipo@lptl.jussieu.fr> writes:

> I'd like to know if someone has done something for ions.
> Should I just add them to the database? Where? in molecules?
> What name should I give to those files in ordrer to be able to recognize 
> them in PDB files?

There are several options, but one-atom molecules are probable the
best description. For the correct assignments to PDB residue names,
see the documentation of the module MMTK.PDB.

Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
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