[phenixbb] metal coordination restraints

Laurie Betts laurie.betts0508 at gmail.com
Fri Nov 4 09:06:10 PDT 2011

How does PHENIX know where to look for proper bond lengths and angles for a
metal ion I add to a protein structure - do I just add the metal into
difference density and any waters, and then run ready set and it knows
where to look for that particular metal and the atoms to which is is
coordinated?  And shouldn't there be a 'cif file that it outputs, or is
that something that I need to get myself?  Sorry it's still not obvious to
me from the documentation.


Laurie Betts
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