Re: Clustering of conformation

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Tue Apr 18 2006 - 05:08:07 CDT

Leo,

If you have the NOE data + parent pdb file and you want to get an
ensemble of conformations, you can use the program CONCOORD:

http://www.mpibpc.mpg.de/groups/de_groot/concoord/

If you already have an ensemble of conformations and you want to
cluster them, the utility g_cluster included in GROMACS could be
helpful for you:

http://www.gromacs.org/documentation/reference_3.2/online/g_cluster.html

Hope it helps,

Michel

2006/4/18, Leo.Ghemtio_at_sanofi-aventis.com <Leo.Ghemtio_at_sanofi-aventis.com>:
>
>
>
>
> somebody knows where can I found the NMRClust program, or any other program
> of clustering conformations .
>
> Léo
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