[phenixbb] Occupancy refinement
JNwachuk at scripps.edu
Fri Jun 1 06:38:34 PDT 2012
Thank you so much,
Adding the altloc identifier appears to fix the problem
That seems to fix the problem.
On Jun 1, 2012, at 5:09 AM, Pavel Afonine wrote:
> 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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