Re: [COOT] hydrogen restraints

2009-12-10 Thread Sara Züger
Hi Paul, thanks for the prompt answer. I checked the phenix library, and indeed these cif-files contain the new annotation... (/phenix/chemdata...) So, maybe... :) Thanks again and have a nice evening, Sara

Re: [COOT] hydrogen restraints

2009-12-09 Thread Paul Emsley
Sara Zueger wrote: Hi everybody, Hi Sara, as I did not find a final solution to the hydrogen restraints problem (flying or exploding during real space refinement) in any of the mailing lists, I wanted to pick this topic up again. If one adds hydrogens by phenix.ready_set or reduce the