Thank you all for your help. Looks like both ProFit and rms_cur will do
just what I needed.
Thanks!
Tom
--
Thomas D. Grant
Graduate Research Assistant
Hauptman-Woodward Medical Research Institute
700 Ellicott St.
Buffalo, NY 14203
On Fri, Jul 22, 2011 at 10:59 AM, Michael Lerner wrote:
>
PyMOL's rms_cur command will do what you want. E.g.
fetch 1rx1
fetch 1ra1
# reports "Executive: RMS = 34.329 (159 to 159 atoms)"
# because the structures still need to be translated and rotated
rms_cur (1rx1 and name CA), (1ra1 and name CA)
# reports "Executive: RMS =0.862 (159 to 159 atom
Tom-
Try ProFit
http://www.bioinf.org.uk/software/profit/
Jed
Thomas Grant wrote:
> Dear all,
>
> I'm attempting to align a series of structures using the CEAlign
> plug-in in PyMOL due to a lack of any detectable sequence homology.
> CEAlign does a good job of aligning and the fits are very
Dear all,
I'm attempting to align a series of structures using the CEAlign plug-in in
PyMOL due to a lack of any detectable sequence homology. CEAlign does a
good job of aligning and the fits are very reasonable. However, the RMSD
that is calculated is based only on the c-alphas that were actual
