[buster-discuss] Réexp : refining occupancies of alternate conformations

Miguel Ortiz Lombardia miguel.ortiz-lombardia at afmb.univ-mrs.fr
Fri Sep 18 12:50:38 CEST 2009

Début du message réexpédié :

> In the meantime, it would be useful if at least BUSTER can output a  
> list of residues with alternative conformations.

I found at least a way of getting this info: running gelly_refine with:

NOTE BUSTER_SET AlterConf = { *|*:*.* }

But having a way of automatically create a set for each of the  
residues listed so the altertative occupancies can be restrained to  
sum 1.0 would be great.


Miguel Ortiz Lombardía
Architecture et Fonction des Macromolécules Biologiques (UMR6098)
CNRS, Universités d'Aix-Marseille I & II
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel : +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
e-mail: miguel.ortiz-lombardia at afmb.univ-mrs.fr
Web: http://www.pangea.org/mol/spip.php?rubrique2

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