[phenixbb] norleucine (NLE) restraints
joel.tyndall at otago.ac.nz
Mon Dec 1 13:19:59 PST 2014
Do you need to define links to define the bonds?
From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-bounces at phenix-online.org] On Behalf Of Daniel Keedy
Sent: Tuesday, 2 December 2014 8:10 a.m.
To: phenixbb at phenix-online.org
Subject: [phenixbb] norleucine (NLE) restraints
First-time poster! I'm trying to re-refine 2f4k.pdb, but phenix.refine chokes on the non-standard norleucine (NLE) amino acid. I've tried phenix.elbow and phenix.ready_set using different version of PHENIX, with the NLE cards as either HETATM or ATOM, all to no avail. SHELX was used to refine the structure originally, but I'd like to use PHENIX to re-refine it. Any ideas on how to define these restraints?
James Fraser Lab
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