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:CCP4BB@JISCMAIL.AC.UK] 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: degano.mass...@hsr.it<mailto:degano.mass...@hsr.it> 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 <00003632e92fcc15-dmarc-requ...@jiscmail.ac.uk<mailto:00003632e92fcc15-dmarc-requ...@jiscmail.ac.uk>> 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 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 [5xmille]<http://www.5xmille.org/?utm_source=mail&utm_medium=web_link&utm_campaign=5xmille_2018> 5xmille. INSIEME POSSIAMO continuare a scoprire nuove cure. CODICE FISCALE 07636600962 Rispetta l'ambiente: non stampare questa mail se non รจ necessario. Respect the environment: print this email only if necessary. ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
