[phenixbb] unwanted disulfids and geometry restraints

Nathaniel Echols nechols at lbl.gov
Thu Jun 27 07:12:35 PDT 2013

On Wed, Jun 26, 2013 at 3:51 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
> Hm.. this isn't easy.. phenix.refine automatically identifies disulfide
> bonds and creates restrains for them. This is controlled by
> disulfide_distance_cutoff=3 parameter. You can set it to some big number, so
> none desulfide bonds will be created automatically

Are you sure it's not the reverse?  I think this number sets the
maximum distance allowed for disulfides; increasing it will just bond
more distant atoms.


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