*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
--- Frank von Delft <[EMAIL PROTECTED]> wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Brain-dead question: is there a ccp4 program that will invert a > substructure for me? (pdbset doesn't, does it?) Watch out if you have space group Fdd2, I41, I4122, I41md, I41cd, I-42d, or F4132 since the center of inversion is not at the origin: http://cns.csb.yale.edu/v1.1/tutorial/other/ambiguities_in_phasing.html Look for: "Enantiomorph ambiguity" This web service takes care of everything automatically: http://cci.lbl.gov/servers/cctbx/change_hand.html Simply paste in your Cartesian or fractional coordinates (with spaces between the fields!). Cheers, Ralf __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
