[MMTK] replaceResidue

Konrad Hinsen research at khinsen.fastmail.net
Sat Jun 18 03:26:30 UTC 2011


On 17 Jun, 2011, at 17:38 , Talipov, Marat wrote:

> However, this leads to another error (the command, the stack, and files with modified residue are given at the end of the letter).  Could you please take a look on it?

You have to remove the import ZMatrix at the end of the residue definition using "del ZMatrix". Otherwise MMTK thinks that ZMatrix refers to an atom of your residue and tries to create it!

Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
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91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research AT khinsen DOT fastmail DOT net
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