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You can tell O explicitly which atoms or range of atoms it should use in either molecule, and it is not restricted to standard settings/ standard atom names. Works really well and imposes very few restrictions on you. -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Mon, 15 May 2006, Phil Evans wrote: > *** 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 >
