Keitaro,
The pdb_interpretation.custom_nonbonded_symmetry_exclusion=<selection>
command line keyword was designed for this purpose. It is also
available from the GUI by searching under all parameters.
Nick Sauter
On Tue, Dec 7, 2010 at 4:36 AM, Keitaro Yamashita
Dear Phenix developers,
I have a question about phenix.refine.
I'm refining complex structure against X-ray diffraction data with packing disorder. (Some domains overlap with their symmetry mates (4-fold), so their occupancies are set to 0.25)
So I want phenix.refine to ignore clashes between symmetry mates. Can phenix.refine exclude any interaction between symmetry mates from geometric term in target function: E = E(x-ray) + E(geometry)? Is there any option?
Thank you very much in advance,
K. Yamashita _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb