Hello,
I would like to introduce a restrained distance between two atoms when
generating a model with Modeller. Unfortunately when the two atoms for
which I would like to retrain the distance are specified in my top file,
the program seems to interpret this as all atoms between these two are
concerned by possible restraints ?? I believe that when one wants to
introduce restraints from NMR data that's what one wishes to do, i.e.
specify pairs of atoms (one or many more) for which the distance should be
within a certain range. Could somebody explain to me how the Modeller
input should be modified so as to introduce such restraints ? Thank you
very much.
Martine.
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Martine Prevost
Ingenierie Biomoleculaire, CP 165/64
Universite Libre de Bruxelles
50 avenue Franklin Roosevelt
B-1050 Bruxelles
Belgium
Phone : 32-2-650 2049
Fax : 32-2-650 3606
E-mail:
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