[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

	http://dirac.cnrs-orleans.fr/hg/MMTK/main/raw-file/12611baed8d2/MMTK/ 
Proteins.py

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

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.
--
---------------------------------------------------------------------
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/
---------------------------------------------------------------------






More information about the mmtk mailing list