[phenixbb] CRYST card being changed

Ralf W. Grosse-Kunstleve rwgk at yahoo.com
Thu Nov 18 13:55:00 PST 2010

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

>From: Nino Campobasso <Nino.2.Campobasso at gsk.com>
>To: "phenixbb at phenix-online.org" <phenixbb at phenix-online.org>
>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.
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