Hello,
I tried to refine a model from xray data using phenix.refine including a Ramachandran_restraints = True command line. It however turns out with an 'Unknown command line parameter definition' error.
It seems to me ramachandran restraints is more than common in refinement. Would it be that my phenix.refine has somehow corrupted? If so how can I reinstate this operation without re-installing the whole phenix?
Thanks in advance!
Hi Sam, try this:
phenix.refine --show_defaults=3
which should list (among other options):
ramachandran_restraints = False
If it doesn't, then you might need a newer version of Phenix to use these.
However...using Ramachandran restraints is generally not recommended as there are not very many situations where they improve your structure (they are best for maintaining helices if they start out very good).
-Tom T
- Badges
- Science method
- Similar topics
- Methodology
- Crystallography