[MMTK] bad lysine protonation

Konrad Hinsen hinsen at cnrs-orleans.fr
Fri Sep 5 14:16:11 UTC 2008


On Sep 4, 2008, at 14:13, Robert Jorissen wrote:

> at home.) With the additional code I mentioned (CYS->CYX), the PDB
> file produced is exactly the same as yours, but without it, I get
> the cysteine HG atoms, plus some weird stuff at the end of the PDB
> output.

That sounds rather weird... I will ask a colleague running the same  
Windows installation that you have to run the script and send me the  
output for comparison.

Konrad.
--
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr
Web: http://dirac.cnrs-orleans.fr/~hinsen/
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