[phenixbb] Possible to rebuild only certain residues in a molecule?

[Tom Terwilliger]

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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>phenixbb mailing list
>phenixbb at phenix-online.org
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

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