[phenixbb] Linking C-Type Heme
julian.esselborn at rub.de
Tue May 23 12:55:50 PDT 2017
that might sound like a stupid question, but we are having some trouble
getting phenix.refine acknowledging a c-type linkage of a heme. That is
a covalent Cys SG bond to C18 or C25 in the heme.
The pdb file does contain a LINK record for this, but Ready Set seems to
ignore that even if told to look for LINK records.
The distance in the model is actually around 1.9 Ä and automatic ligand
linking is on and set well below that distance.
Any ideas why this might be failing and what is the smartest way to proceed?
Any ideas highly appreciated.
Thanks a lot
UC San Diego
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