[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)?
Thanks,
Terry
--
P. Therese Lang
Postdoctoral Scholar
Alber Lab, UC Berkeley
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