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.
-------------------------------------------- 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: mprevost@ulb.ac.be --------------------------------------------