Does "Contents one unit cell", then "Extend unit cell" do this?
Stuart On Wed, 2 Jun 2021 at 14:14, Stefano Trapani <trap...@cbs.cnrs.fr> wrote: > > 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 > > ------------------------------------- > > 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, 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 > > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > > -- > 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 ######################################################################## 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/
