10 Jan
2018
10 Jan
'18
8:47 p.m.
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