[MMTK] undefined functions in effectiveMassAndForceConstant

Konrad Hinsen research at khinsen.fastmail.net
Wed May 11 07:14:29 UTC 2011


On 10 May 2011, at 18:37, ra.biehl wrote:

> using the example
> Fast normal modes for large proteins using an elastic network model
> and trying
> modes[7].effectiveMassAndForceConstant()
> gives an error
> AttributeError: 'VibrationalMode' object has no attribute
> 'massWeightedProjection'
> in MMTK 2.7.1 but 2.7.4 looks the same.

That method has escaped the correct transition from MMTK 1 to MMTK 2,  
meaning that no one has used it for many years!

It's fixed now:

	https://hg.python-science.org/MMTK/rev/4b3ed8d78e60

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: research at  khinsen dot fastmail dot net
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