[phenixbb] How to define a disulfide bond between symmetry related molecules in phenix.refine

Michael Hothorn michael at hothorn.de
Wed Feb 25 02:03:12 PST 2015

Dear all,

I am trying to refine an intermolecular disulfide bond in phenix.refine. 
The disulfide involves Cys 188 in chain A and Cys 188 of chain B of a 
symmetry related molecule, with symop -X, Y+1/2, Z+1/2. There are two 
molecules in the AU, SG is P212121. I generated the following SSBOND 
entry in the pdb header:

SSBOND 2 CYS A   188  CYS B   188                    1555  3555 2.04

Based on this: 
http://www.wwpdb.org/documentation/file-format/format33/sect6.html the 
format seems fine, but the disulfide is not being recognized during 

Could someone point out to me how to correctly define this for 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150225/5962e3e1/attachment.htm>

More information about the phenixbb mailing list