Scott
The primary sources are
Acta Cryst. D62 (2006), 678-682
J. Comput. Chem. 14, (1993), 961-969
Journal of Inorganic Biochemistry 102 (2008) 1765–1776
You can easily edit the output file to change the values or set
use_default_bondlengths=False (older version have this as the default)
to use the input geometry as the guide.
Nigel
On Thu, May 13, 2010 at 10:16 PM, Scott Classen
Hello, I have a structure with several water/carboxylate-coordinated metal ions and I am using phenix.metal_coordination to generate the restraints parameter file for phenix.refine. Can someone please tell me where phenix.metal_coordination is getting the ideal bond length/angle values from. Thanks, Scott Classen _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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