[phenixbb] "standard" monomer restraints
Pavel Afonine
pafonine at lbl.gov
Wed Jan 10 12:47:00 PST 2018
Hi Wolfram,
> how/where (in the PHENIX installation tree?) can one look up target
> values (effective during restrained refinement in PHENIX) for specific
> bond lengths and angles of monomers like amino acids or nucleosides?
If you know three-letter code:
elbow.where_is_that_cif_file ATP
or simply look at the file content directly in
chem_data/mon_lib/
or in
chem_data/geostd
or
inspect *.geo file (always created in refinemetn) that lists all
restraints used in refinement.
Pavel
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