[phenixbb] Modifying restraints for a single glutamate

Eric Johnson johnson at scripps.edu
Wed Nov 4 14:14:55 PST 2015

Is it possible to modify the restraints for single glutamic acid residue that forms an ester bond with a heme?  Formation of the ester bond should lengthen the C - O bond length.  Normal restraints distort the geometry of the covalent adduct.

Eric Johnson

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