Re: [phenixbb] CRYST card being changed

Hi Nino, I changed the behavior already a couple weeks ago. We now exercise systematically that Coot correctly understands our space group symbols. This change is in dev-572. Ralf

From: Nino Campobasso To: "[email protected]" Sent: Thu, November 18, 2010 12:06:15 PM Subject: [phenixbb] CRYST card being changed

Phenix developers,

When I run a refinement, it appears that the CRYST card is not being written as expected by programs like pymol and coot. I’ll start with a file that has C 1 2 1 and phenix.refine will write out C2 . If I attempt to view symmetry related molecule within coot or pymol, these programs complain that there is no symmetry op. If “fix” the spacegroup in the CRYST line, pymol and coot are happy and generate the related molecules.

Best, Nino