Hi Murpholino, Helen Ginn is developing software to characterise changes in protein structures (especially informative when the changes are small but significant)– there is a web app and a download here:
https://rope.hginn.co.uk I recommend watching the youtube tutorial. From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Murpholino Peligro <murpholi...@gmail.com> Date: Tuesday, 9 April 2024 at 02:39 To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] How to compare the same protein crystallized in different conditions? Caution External Email: Do not click any links or open any attachments unless you trust the sender and know that the content is safe. Hi... Let's say I want to compare the same protein crystallized in different conditions. Same space group, almost same resolution. The global RMSD will be pretty small (around 0.3 Angstroms). There will be some changes in rotamers in some residues and some extra waters here and there... Besides local rsmd and contact maps (or differences in contact maps)... is there anything else to get a decent view of these small changes? Thanks a lot. ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
