Dear Stefano, I do not know if it is possible, but as a workaround, you could first expand your object by crystallographic symmetry and then do the superposition. Best, Herman
Von: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von Stefano Trapani Gesendet: Mittwoch, 2. Juni 2021 14:31 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] superpose crystal objects in CCP4MG or other software Dear all I would like to visually compare (using some molecular graphics software) the crystal packing of two different crystal forms of the same protein. In order to identify the similarities/differences between the crystal packings, I need to change the default unit cell origin and orientation of one of the crystal forms. * Is there a way, in CCP4MG or other molecular graphics software, to apply a given rotation/translation matrix to a "crystal object" (not to a single molecular object), so that further expansions of the object by crystal symmetry will be consistent with the new origin/orientation ? * If yes: can the transformation be defined by a least-squares superposition between molecules from the two crystal objects ? Best regards -- Stefano Trapani Maître de Conférences http://www.cbs.cnrs.fr/index.php/fr/personnel?PERS=Stefano%20Trapani ------------------------------------- Centre de Biologie Structurale (CBS) 29 rue de Navacelles 34090 MONTPELLIER Cedex, France Tel : +33 (0)4 67 41 77 29 Fax : +33 (0)4 67 41 79 13 ------------------------------------- Université de Montpellier CNRS UMR 5048 INSERM UMR 1054 ------------------------------------- -- This message has been scanned for viruses and dangerous content by MailScanner<https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.mailscanner.info%2F&data=04%7C01%7CHerman.Schreuder%40SANOFI.COM%7Cc04bafa2734b43bcddee08d925c5059a%7Caca3c8d6aa714e1aa10e03572fc58c0b%7C0%7C0%7C637582351009154508%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=QKQlojah3a%2BPsIr%2FgVYZb93SbT98iOefgO%2FaAqM9ycM%3D&reserved=0>, and is believed to be clean. ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1<https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7CHerman.Schreuder%40SANOFI.COM%7Cc04bafa2734b43bcddee08d925c5059a%7Caca3c8d6aa714e1aa10e03572fc58c0b%7C0%7C0%7C637582351009154508%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=MpvO9vCcxjnH5sJrDptR3KPxlCl2hBMHhQJns8rSc80%3D&reserved=0> ######################################################################## 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/
