Yes, "Save Symmetry Coordinates" in COOT is a very easy way. To avoid text editing, you can first reload the pdb and use the "Copy Fragment ..." under Extensions/Modeling to get the desired chains. Then use the "Merge Molecules" under Calculate to assemble.
Yong -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Mark J van Raaij Sent: Friday, May 22, 2015 10:09 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Easy way to generate symmetry-related protein chains? (summary) It seems the easiest way is to "Save Symmetry Coordinates" in COOT and then assemble the desired chains in a text editor. > Extensions -> Modelling -> Symm Shift Reference Chain Here. is present if you build COOT yourself, but is not in the pre-built releases (for now). Mark J van Raaij Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC c/Darwin 3 E-28049 Madrid, Spain tel. (+34) 91 585 4616 http://www.cnb.csic.es/~mjvanraaij On 22 May 2015, at 14:24, Mark J van Raaij wrote: > Just wondering if there is an easy way to generate symmetry-related chains, > necessary for instance to join protein chains into the biologically relevant > multimers. > What I do now is look up the correct symmetry and translation operator in > COOT or PYMOL and input that in PDBSET, but there may be easier ways. > > in the CCP4bb archive I found the following tip for COOT: > > Extensions -> Modelling -> Symm Shift Reference Chain Here. > > but that does not appear to be available in COOT, or not anymore. > > Mark J van Raaij > Dpto de Estructura de Macromoleculas > Centro Nacional de Biotecnologia - CSIC c/Darwin 3 > E-28049 Madrid, Spain > tel. (+34) 91 585 4616 > http://www.cnb.csic.es/~mjvanraaij
