[phenixbb] reference model
Kendall Nettles
knettles at scripps.edu
Thu Mar 24 06:11:06 PDT 2011
Dear PHENIX developers,
I would like to use a reference model in refinement, but the structure has two components with known higher resolution structures. Can I specify two reference models? How?
I'm also having trouble with the syntax. With the following params file, the run fails saying that reference model is an unused parameter.
Lastly, what does "reference_xray_structure" do?
Thanks!
Kendall
refinement.main {
reference_model_restraints = True
}
refinement.refine {
strategy = *individual_sites \
rigid_body \
individual_sites_real_space \
*individual_adp \
group_adp \
tls \
occupancies \
group_anomalous \
none
}
reference_model {
file = 4.pdb }
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