Hello
I am new to phenix. I am tring to refine the occupancies using the
phenix.refine gui. In the refinement settings- refinement strategy :
occupancies , when I define the groups for individual atoms as chain A and
resseq 1:200 (for protein atoms) and a ligand group in constrained as chain
B and resseq 1:10 and chain C and resseq 1:10, the refinement fails with
several errors. The refinement runs fine when I do not touch the
"occupancies" panel on the gui.
How do I refine in Phenix the occupancies defining as well as partitioning
the molecule as individual, groups and coupled groups?
Thanks in advance,
Amit
--
AMIT DAS,
PROTEIN CRYSTALLOGRAPHY SECTION,
SOLID STATE PHYSICS DIVISION,
BARC, TROMBAY,
MUMBAI-400085.
INDIA.
Alt E-mail:[email protected]