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Hello Juergen, I certainly need to make sure the program gives a bit more feedback but for the SSM superposition algorithm to work the structure must have secondary structure and must have a full main chain representation for the secondary structure to be analysed. In the latest version of the CCP4mg 0.9.n there are two alternative superposition methods - see http://www.ysbl.york.ac.uk/~ccp4mg/ccp4mg_help/superpose.html - I think the 'Selected residue' option should work for your case (and SSM probably ought to work for your case too!). Liz On Tuesday 04 October 2005 17:24, Juergen Bosch wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Dear BB's, > > I noticed a feature (bug) with ccp4mg when trying to superpose > molecules. Sometimes I can superpose molecules and sometimes it will > just refuse to do anything - not even an error message, no > superposition, no rmsd etc. > > I have three subunits of the identical aa sequence/numbering with loop > variations - my current workaround is to superpose with Xfit save the > coords and read them into ccp4mg - not too exciting > > Anybody out there who has the same issue ? How can I get rid of this bug ? > > What I have tried so far: > delete my current session and restarted in a fresh session - no success > deleting my tmp folder - no success > > Thanks for your recommendations, > > Juergen
