[phenixbb] Rosetta and disulphides

Terwilliger, Thomas C terwilliger at lanl.gov
Wed Mar 21 17:56:20 PDT 2012

Hi Morten,

I asked about this...and if your input model has Cys-Cys disulfides and the sequence file also has these cysteine residues, then the disulfides should be maintained by Rosetta. If that isn't happening, let me know!

I hope that helps!
All the best,
Tom T

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Morten Groftehauge [mortengroftehauge.work at gmail.com]
Sent: Wednesday, March 21, 2012 8:25 AM
To: PHENIX user mailing list
Subject: [phenixbb] Rosetta and disulphides

Hi phenix-bb'ers,

Is there anyway to make phenix.mr_rosetta take disulphide bridges into account? It's a rather enormous restraint on conformational space after all (wait is that a constraint or restraint? I get confused).


Morten K Grøftehauge, PhD
Pohl Group
Durham University

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