Re: NAMD trajectory format

From: Konrad Hinsen (hinsen_at_cnrs-orleans.fr)
Date: Thu May 29 2008 - 11:43:13 CDT

On May 28, 2008, at 16:05, Axel Kohlmeyer wrote:

> it is not that difficult and you could use the fortran wrapper code
> that i contributed as a starting point. OTOH, you can also just link
> the individual subroutines as a static library. see:
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/
>
> and particularly:
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/doxygen/
> callmolfileplugins.html#callmolfileplugins

Thanks, I will look at that for use in the future. For my current
needs, I am quite happy with my DCD parser written in Python, which
seems to work fine, at least for the one trajectory that I have for
testing.

Thanks again for your help,
   Konrad.

PS: If anyone wants a copy of my DCD parser in Python, just ask!

--
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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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