[phenixbb] idealizing structure

[Kgosisejo, Oarabile]

Hi,

Is there only the command line version of this or the GUI usage is available as well?

Best Regards,

Oarabile Kgosisejo
________________________________________
From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Pavel Afonine [pafonine at lbl.gov]
Sent: January 20, 2015 1:58 PM
To: PC; PHENIX list
Subject: Re: [phenixbb] idealizing structure

>   Is there a way to "idealize" a structure in Phenix?
>
> I mean, ideal omega, all residues within allowed regions of Ramachandran maps, no clashes..etc. I know it won't fit the map well but I would like to see what it looks like.

Yes, using phenix.geometry_minimization :

http://phenix-online.org/documentation/reference/geometry_minimization.html

Pavel

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