[phenixbb] Creating cyclic peptide coordinates and restraints

A User usera567 at gmail.com
Wed Feb 10 15:41:57 PST 2016

Hi Everyone,

I am working on a 1.9A enzyme inhibitor complex. The inhibitor is a
macrocyclic peptide with a non-proteinogenic amino acid that is modified at
the n-terminus with a chloroacetyl-group that cyclizes via the sulfhydryl
group of the next cysteine. The total lenght of the peptide is 9 amino

What is the most straight forward way to generate the coordinates of such
macrocyclic peptide and what are the best settings in eLBOW to generate the
restraints for it?

Thanks for your time guys!

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