[phenixbb] Occupancy refinement
pafonine at lbl.gov
Fri Jun 1 02:09:58 PDT 2012
you may also want to check the ligand's cif file to make sure the
library geometry is what you actually expect.
On 5/31/12 11:55 AM, Jerome Nwachukwu wrote:
> I have a 2.2Å structure containing a ligand in at least 2 alternate conformations. When the structure is refined via XYZ refinement + occupancy using phenix.refine, both ligand conformers are kicked out of the electron density. Is there a way to prevent this?
> Thank you,
> Sent from my iPhone
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