<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:10pt"><div>Hi Nino,<br>I changed the behavior already a couple weeks ago. We now exercise systematically<br>that Coot correctly understands our space group symbols.<br>This change is in dev-572.<br>Ralf<br><br></div><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><div style="font-family: times new roman,new york,times,serif; font-size: 10pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><b><span style="font-weight: bold;">From:</span></b> Nino Campobasso <Nino.2.Campobasso@gsk.com><br><b><span style="font-weight: bold;">To:</span></b> "phenixbb@phenix-online.org" <phenixbb@phenix-online.org><br><b><span style="font-weight: bold;">Sent:</span></b> Thu, November 18, 2010
12:06:15 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [phenixbb] CRYST card being changed<br></font><br>
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<p class="MsoNormal">Phenix developers,</p>
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<p class="MsoNormal">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.</p>
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<p class="MsoNormal">Best,</p>
<p class="MsoNormal">Nino</p>
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