[phenixbb] Occupancy refinement

Pavel Afonine 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:
> Hi:
> 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,
> -Jerome
> Sent from my iPhone
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

More information about the phenixbb mailing list