[phenixbb] fix rotamers question
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
- 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,
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