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 wrote:

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

-- Nigel W. Moriarty Building 64R0246B, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov