[Chimera-users] RMSD calculation
Austin B. Yongye
ybausty at yahoo.com
Tue Jul 10 11:32:44 PDT 2012
Hi Dr. Huang,
I would like to use the "nogui" mode.
Thanks a lot!
--- On Tue, 7/10/12, Conrad Huang <conrad at cgl.ucsf.edu> wrote:
> From: Conrad Huang <conrad at cgl.ucsf.edu>
> Subject: Re: [Chimera-users] RMSD calculation
> To: "Austin B. Yongye" <ybausty at yahoo.com>
> Cc: chimera-users at cgl.ucsf.edu
> Date: Tuesday, July 10, 2012, 9:18 AM
> Will you be running Chimera with a
> graphical interface? If so, then the
> Ensemble Cluster tool already prints the RMSD matrix to the
> Reply Log.
> If you want to get the RMSD in "nogui" mode, please let us
> know and we
> can figure something out.
> On 7/10/12 7:57 AM, Austin B. Yongye wrote:
> > Hello Chimera-developers/users:
> > Does someone have a script that can perform pairwise
> backbone RMSD
> > calculations for a group of pdb structures in a file
> and write out the
> > RMSD matrix? This may already be implemented in the
> clustering routine.
> > Just need to get the RMSDs.
> > Thanks,
> > Austin-
> > _______________________________________________
> > Chimera-users mailing list
> > Chimera-users at cgl.ucsf.edu
> > http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
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