Yes, that is the way I usually do, but it can be cumbersome.
It would be easier if I could first superpose two molecules from the two crystals, and then decide in which directions to expand by crystal symmetry (I want to compare layers and rows of molecules). Best regards Stefano Le 2021-06-02 15:05, Schreuder, Herman /DE a écrit : > 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 [1] > > ------------------------------------- > > 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 [2], and is > believed to be clean. > > ------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > MAILSCANNER HAS DETECTED A POSSIBLE FRAUD ATTEMPT FROM > "EUR01.SAFELINKS.PROTECTION.OUTLOOK.COM" CLAIMING TO BE > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 [3] > -- > This message has been scanned for viruses and > dangerous content by MAILSCANNER [4], and is > believed to be clean. Links: ------ [1] http://www.cbs.cnrs.fr/index.php/fr/personnel?PERS=Stefano%20Trapani [2] 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 [3] 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 [4] http://www.mailscanner.info/ -- This message has been scanned for viruses and dangerous content by MailScanner, 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 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/
