[phenixbb] prosthetic group

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Thu May 29 11:41:16 PDT 2008


Hi Bryan,

> should prosthetic groups be attached to proteins by those LINK or CONNECT
> records as found in typical PDB files?

phenix.refine ignores LINK and CONECT records completely (many reasons).
You can use the geometry_restraint.edits to define custom bonds and
angles (see phenix.refine documentation), or define cif links and
modifications by hand.

> e-LBOW seems for _ligands_ only.

Do you have a concrete problem with elbow?

Ralf



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