On Wed, May 23, 2012 at 12:54 PM, Mark J van Raaij
<mjvanra...@cnb.csic.es <mailto: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.
