[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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