Re: [phenixbb] Occupancy refinement

Jerome, you may also want to check the ligand's cif file to make sure the library geometry is what you actually expect. Pavel 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 [email protected] http://phenix-online.org/mailman/listinfo/phenixbb