Hi Matthew, elbow.builder creates a cif file that defines the geometry (bonds, angles, ...). If you are not happy with the values defined in that file, you can manually edit it. Also, you can specify a covalent bond between two selected atoms (for example, bond between a protein and a ligand); see "Definition of custom bonds" paragraph in the Documentation (http://www.phenix-online.org/download/cci_apps/). Pavel. Matthew Bowler wrote:
Dear All, I have been trying to find the utility in elbow_builder to define bond distances and link distances with no luck, the .py file has bond order information for my ligand but nothing regarding distances etc, can anyone help?
Thanks in advance, yours, Matt.
Matthew Bowler MRC Dunn Human Nutrition Unit Wellcome Trust / MRC Building Hills Road Cambridge CB2 2XY Tel: 0044 (0) 1223 252826 Fax: 0044 (0) 1223 252825
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