[phenixbb] ligand problem in phenix.refine
pafonine at lbl.gov
Sun Mar 27 22:58:44 PDT 2011
I guess to be able to run phenix.refine you need to follow phenix.refine
Most likely using phenix.elbow or phenix.ready_set and defining custom
bonds and angles as described here:
should be enough to do what you want. If not, then please send me the
inputs and tell what exactly you are trying to do, and I will send you
back a working example.
> I want to run phenix.refine on a glycoprotein, but the sugars are not in
> the standard library. I just wonder whether there is a refmac-style syntax
> (LIBIN) in phenix.refine to include a user-written ligand library, instead
> of adding and modifying the existing phenix library.
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