[MMTK] Examples/construction.py

Konrad Hinsen hinsen at cnrs-orleans.fr
Mon Jun 29 12:32:46 UTC 2009


On Jun 29, 2009, at 8:30, Konrad Hinsen wrote:

> On 26.06.2009, at 16:41, Sanzo Miyazawa wrote:
>
>> I installed ScientificPython-2.9.0 and MMTK-2.6.0 with python 2.5.3.
>> I tried to run Examples/construction.py but it ended with
>> the following error; it says that  Groups/lysine_neutral_noh is  
>> missing.
>
> It's indeed missing. I'll add it.

Done. It's in the Mercurial repositories and will be in future  
releases. For an immediate fix in your installation, just copy
	MMTK/Database/Groups/lysine_noh
to
	MMTK/Database/Groups/lysine_neutral_noh
In fact, in the absence of hydrogens, there is no difference between  
the two different protonation states of lysine.

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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