[phenixbb] ruthenium parameters

Terry Lang terry at lego.berkeley.edu
Mon Aug 24 19:29:10 PDT 2009

Hey Everyone,

       I am working on an xray structure that contains a ruthenium.  I 
have been able to use elbow to create a cif file that phenix can read 
and refine without throwing error messages.  However, there is a large 
amount of positive electron density after the refinement.  I am looking 
into modeling coordinate waters, but I first wanted to check that the 
ruthenium is being read correctly by phenix.  How do I figure out if it 
is properly recognized (eg correct scattering factors, bond and angle 
restraints, etc)?


P. Therese Lang
Postdoctoral Scholar
Alber Lab, UC Berkeley

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