HIS to HSD, HSE, and HSP

From: John Eargle (eargle_at_uiuc.edu)
Date: Tue Feb 14 2006 - 14:48:05 CST

Using psfgen, is there an easy way to set specific HIS
residues to HSD, HSE, or HSP? There's a message about this in
the namd-l logs (Dec 2003), and the suggestion is to use the
mutate command. I checked that out, but since the sidechain
is replaced sometimes the ring gets flipped.

~John Eargle

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