*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
Maybe not quite what you want, but one can use XPAND (USF) to expand the coordinates into a given box (e.g. an asymmetric unit), using the (F) option. This way, as long as all of your atom sets have a common origin, they should be appropriately superimposed. The downside is that you will probably artificially break secondary structure elements which cross the boxes edges.
Cheers, Charlie 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
-- Dr Charles S. Bond University of Dundee Tel: +44-1382-388325 Honorary Lecturer Dow St, Dundee Fax: +44-1382-345764 BBSRC David Phillips Fellow DD1 5EH, Scotland [EMAIL PROTECTED] School of Life Sciences http://stein.bioch.dundee.ac.uk/~charlie
