[MMTK] bad lysine protonation

Konrad Hinsen hinsen at cnrs-orleans.fr
Fri Sep 5 15:04:05 UTC 2008

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

> I am using the latest Windows installation of MMTK for Python 2.5
> which is pywin32-211.win32-py2.5.exe, plus Numeric-23.8.2 and  
> ScientificPython-2.7.8.

That's MMTK 2.5.22 you are running.

After a quick analysis, I found the bug that causes your problem. I  
fixed it two months ago, but since then I didn't make a new release,  
so for the moment the only place to get the fix is from the Mercurial  
archives. Just download the new version of Proteins.py at


and replace the file MMTK/Proteins.py in your installation with it.  
You will also have to remove the file Proteins.pyc from your  

I will publish release 2.5.24 soon to fix that bug, but I don't know  
when I will be able to update the Windows installers, as I can't  
produce them myself for lack of a Windows machine.

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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