[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
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