You can try the scripts
user-define-restraints.scm/user_defined_restraints.py which allow you to
specify restraints. These are not available in the distribution (yet)
but from google code:
http://code.google.com/p/coot/source/browse/trunk/scheme/user-define-restraints.scm
http://code.google.com/p/coot/source/browse/trunk/python/user_defined_restraints.py
(*)
There is more on non-bonded restraints (including H-bonds) in the
pipeline...
B
(*) just realised the name mismatch, so this may change at some point...
Dear CCP4bb,
Is there any way to define a hydrogen bond as a restraint for real
space refinement in Coot? It would be really useful for e.g.
nucleotides where you might hypothesize or know that specific hydrogen
bonds are formed.
Sincerely,
Morten
--
Morten K Grøftehauge, PhD
Pohl Group
Durham University
--
Morten K Grøftehauge, PhD
Pohl Group
Durham University
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