Lionel
Also, you can load any CIF file into REEL
phenix.reel ligand.cif
to get an idea of which restraints are problematic. The restraints
with too small ESDs are highlighted.
I'm happy to answer any questions about eLBOW or ReadySet!
Nigel
On Thu, Aug 12, 2010 at 10:03 AM, Ralf W. Grosse-Kunstleve
On a different but related note, is there some way to print out the list of bond length deviations from ideal values for all the restrained bonds in the structure?
Each time phenix.refine starts up it writes these to the .geo file (unless you set write_geo_file=False), "Sorted by residual". You can also set write_final_geo_file=True to get the sorted restraints after refinement.
Ralf _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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