[phenixbb] Occupancies

[AMIT]

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:amitdas at barc.gov.in <E-mail%3Aamitdas at barc.gov.in>
PHONE:+91-22-25594688/4063
FAX:+91-22-25505151
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