[phenixbb] fix rotamers question

Peter Grey petgxray at gmail.com
Tue Oct 19 12:06:30 PDT 2010

Dear Phenix community,

I would like to have some additional information regarding fix_rotamers. In
particular :

- How Phenix chooses which rotamers need to be fixed ?
- Does Phenix really re-calculate the three maps after correcting each
rotamer ? For very large structures this is very time-consuming and one can
settle for calculating a new map every 10-20 residues. Perhaps this could be
a user-controlled parameter ?
-Can you please explain how fix_rotamers works together with ncs restraints

Thank you in advance for shedding light on this,

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20101019/85822816/attachment-0002.htm>

More information about the phenixbb mailing list