[buster-discuss] refining occupancies of alternate conformations

Miguel Ortiz Lombardia miguel.ortiz-lombardia at afmb.univ-mrs.fr
Fri Sep 18 12:49:50 CEST 2009


I wonder if there is a simple way of selecting all residues with  
alternative conformations and refine them so the sum of their  
respective alternate occupancies amount to 1.0.

I have found in the manual the way of doing it, but only if I manually  
select each residue with alternative conformation and create a set for  
it. This seems not quite straightforward to me...

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

All the best,

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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