Dear Stefano, It might be possible to do what you want in a roundabout way:
i) Apply matrix to molecule: Molecule Icon -> Transform coordinates -> Enter transformation ii) Save the molecule: Molecule Icon -> File save/restore -> Save to file. iii) Load in the saved molecule iv) For the new file: Molecule Icon -> Create crystal object. (Maybe ii) and iii) are not necessary.) Best wishes, Stuart On Wed, 2 Jun 2021 at 13:50, Stefano Trapani <trap...@cbs.cnrs.fr> wrote: > > 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: > 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/
