This is probably a good opportunity to say that the USF has moved to https://github.com/martynwinn/Uppsala-Software-Factory
Gerard asked for this so that they wouldn't be lost. I haven't put any effort into checking the binaries or compilation, but I will do what I can on a best effort basis ...
Others are welcome to contribute ...
cheers
m
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of Degano Massimo
Sent: 17 September 2019 15:35
To: ccp4bb
Subject: Re: [ccp4bb] Calculating RMSD of a loop
Hi,
(good old) LSQMAN from the Uppsala Software Facotry will do this for you. First you align the structures based on the subset of atoms you want to match, then use the RMSD command to calculate the rmsd for the subset of atoms you are interested in.
Best wishes,
Massimo
--
Dr. Massimo Degano
Biocrystallography Unit
Dept. of Immunology, Transplantation, and Infectious Diseases
IRCCS Scientific Institute San Raffaele
via Olgettina 58
20132 Milan - Italy
email: [log in to unmask]<mailto:[log in to unmask]>
phone: +39-0226437152
fax: +39-0226434153
skype: maxdegano
ORCID: 0000-0002-0787-1883
http://research.hsr.it/en/divisions/immunology-transplantation-and-infectious-diseases/biocrystallography.html<http://research.hsr.it/en/divisions/immunology-transplantation-and-infectious-diseases/biocrystallography.html>
On 17 Sep 2019, at 15:31, Kyle Gregory <[log in to unmask]<mailto:[log in to unmask]>> wrote:
Hi all,
What is the best/easiest way to calculate RMSD of a loop for 2 c-alpha aligned structures?
Thought I could do this in Coot but I only see this if I align the specific loops, which I don't want to do.
Thanks,
Kyle
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