and if everything else fails including kicking the trash can one could indeed read the manual/FAQ - thanks Paul
On Wed, May 23, 2012 at 4:27 PM, Paul Emsley <paul.ems...@bioch.ox.ac.uk>wrote: > > On Wed, May 23, 2012 at 12:54 PM, Mark J van Raaij <mjvanra...@cnb.csic.es > > wrote: > even more flexible than COOT? > - the only thing I can think of that I haven't worked out how to do in > COOT is grabbing and moving one atom at a time. > > > On 23/05/12 19:50, jens j birktoft wrote: > > Thanks Mark. > > As a matter of fact that is what I am really looking for. The ability > to move one or a few selected atoms/fragments at a time. > > > And you thought that Coot was not flexible enough to do that? > > :-( > > Coot FAQ 4.23 > > > http://www.biop.ox.ac.uk/coot/doc/coot-faq.html#How-do-I-_0022grab_0022-just-one-atom-in-Real-Space-Refinement_002fRegularization_003f > > Also: > > If you don't want regularization/refinement, use the Rotate/Translate tool > and Ctrl-click the atom(s) to move them one at a time. > > If you want "on the fly" regularization/refinement of fragments that > include atoms that don't move when you "drop" them you need to fix them > with the Fix Atom tool before regularization/refinement. > > HTH, > > Paul. > > -- Jens J. Birktoft e-mail: jens.kn...@gmail.com slow-mail: 350 Central Park West, Suite 9F, New York, NY 10025 Phone: 212-749-5057
