[phenixbb] on ligand restraint
pafonine at lbl.gov
Sun Oct 4 23:12:39 PDT 2015
Most likely wrong ligand CIF file.
On 10/4/15 21:51, Smith Liu wrote:
> Dear All,
> I have tried a phenix.real_space_refine with a ligand cif and without
> ligand cif (both with ligand PDB in the whole protein-ligand PDB for
> refine), I find with ligand cif in the input can lead to significant
> increase of the clash score for the refined PDB.
> Will you please make comment on whether the clash score incensement by
> adding cif in the input was a general phenomenon, or only specific to
> my situation, and how to solve it?
> Best regards.
> At 2015-10-05 02:14:28, "Pavel Afonine" <pafonine at lbl.gov> wrote:
> >On 10/4/15 02:19, Smith Lee wrote:
> >> Dear All,
> >> Does phenix.refine can process some ligands without the process by eLBOW, for example ATP, ADP,etc?
> >> Smith
> >> _______________________________________________
> >> phenixbb mailing list
> >> phenixbb at phenix-online.org
> >> http://phenix-online.org/mailman/listinfo/phenixbb
> >> Unsubscribe: phenixbb-leave at phenix-online.org
> >phenixbb mailing list
> >phenixbb at phenix-online.org
> >Unsubscribe: phenixbb-leave at phenix-online.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb