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What about EMMA? (cctbx) It writes out operators, at any rate, but you may want to feed it only CA atoms, to make it quicker (not that it's slow). phx. > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On > Behalf Of Phil Evans > Sent: 15 May 2006 10:01 > To: [email protected] > Subject: [ccp4bb]: Symmetry superposition > > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > Is there a program somewhere which will give me the best > symmetry operation to superimpose two molecules? I'm trying > to compare different autobuilds where the different programs > have built different asymmetric units (sometimes for > different fragments). The residues numbering is random of course. > > I've tried > > Coot, but the writing out of symmetry-related coordinates is > currently broken, > > ccp4mg but I don't seem to be able to get symmetry-related > neighbours of molecule 1 (say) around the position of > molecule 2, only around its own position > > any suggestions? > > Phil > >
