[phenixbb] nucleic acid secondary structure restraint sigmas
Dyda
dyda at ulti.niddk.nih.gov
Fri Mar 23 09:55:57 PDT 2018
Hi,
Does anyone one whether is it possible (and if so how)
to change the target sigmas of the H-bonds restraining base pairs?
It seems that base pair restraints can do several things:
base_pair {
enabled = True
base1 = chain 'C' and resid 21
base2 = chain 'D' and resid 5
saenger_class = 19
restrain_planarity = False
planarity_sigma = 0.176
restrain_hbonds = True
restrain_hb_angles = True
restrain_parallelity = True
parallelity_target = 0
parallelity_sigma = 0.0335
What I'd like to know whether the restrain_hbonds and restrain_hb_angles sigmas can be adjusted.
Or is it the case that parallelity_sigma is doing what I'm looking for?
Thanks!
Fred
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Fred Dyda, Ph.D. Phone:301-402-4496
Laboratory of Molecular Biology Fax: 301-496-0201
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