[phenixbb] autobuild : use of ncs

Tom Terwilliger terwilliger at lanl.gov
Wed Sep 22 11:44:56 PDT 2010

Hi Bryan,
Yes, one copy of each unique sequence is all that is necessary in the sequence file (in fact all other copies are ignored).
All the best,
Tom T

On Sep 22, 2010, at 11:37 AM, Lepore, Bryan wrote:

>> The single chain output from autobuild suggests that you are running with "rebuild_in_place=False", and then autobuild puts all the parts of the model that > >match one copy of your sequence from the sequence file as "chain A".
> so if e.g. user thinks 2-fold NCS, and there is a protomer plus its copy in a .pdb (segid A and B) related by that 2-fold, can the input sequence file has just one string of residues for the protomer?
> i.e. not one string and its copy?
> -bryan
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

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