Dear all,
Can any one comment on setting up restraints for refinement against
merohedrally twinned data in Refmac?
I find that refinement distorts the geometry (90% allowed in the Ram.
plot becomes 60% after 10 cycles). Decreasing the weight term to 0.5
or 0.1 seems not to improve the refinement.
This is 2.5 A H3 data. I am using a model built at lower resolution in
a different crystal form, so I believe the model is largely correct.
Has anyone experienced a similar situation?
Thanks for any help!
--James
