Possible to rebuild only certain residues in a molecule?
All Can the rebuild process be directed to rebuilding specific residues in the molecule? Can this be extended to build multiple models of a given set of residues? Thanks FR --------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
Hi Francis, Yes, you can rebuild specific residues with rebuild_res_start_list="20" rebuild_res_end_list="23" rebuild_chain_list="A" to rebuild residues 20-23 of chain A. You can have several sets with rebuild_res_start_list="20 66" rebuild_res_end_list="23 69" rebuild_chain_list="A B" to rebuild 20-23 of chain A and 66-69 of chain B. I have never actually tried it, but yes, that should work for multiple models as well. Just add: multiple_models=True multiple_models_number=5 multiple_models_starting=No All the best, Tom T At 04:01 PM 3/3/2008, you wrote:
All
Can the rebuild process be directed to rebuilding specific residues in the molecule? Can this be extended to build multiple models of a given set of residues?
Thanks
FR
--------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder
gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
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participants (2)
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Francis E Reyes
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Tom Terwilliger