Don't know if such feature already exists in coot, but there are many possible ways to script this using some other software. First thing that comes to my mind is CNS - it has the neighborhood.inp script to do this. The next easiest thing is probably doing it in pymol, which already has a shortcut to generate all the symmetry mates within certain distance. Something as simple as save command with a wildcard could do it.
On Wed, 2011-02-23 at 17:36 +0100, cedric bauvois wrote: > Sorry, I mean to say > > "save all of them in one single step ?" > > (for example using a cutoff distance of 10 A) > > 2011/2/23 Ed Pozharski <[email protected]> > > On Wed, 2011-02-23 at 16:40 +0100, cedric bauvois wrote: > > Dear all, > > > > Is there a way to save all symmetry related coordinates > which are > > close to the ones given in the input file ? > > > > Thanks ! > > > > > > Cedric > > > > > While the answer is trivial and has been given many times > before (just > look at File->Save symmetry coordinates and then click on the > copy you > want to save), I must admit that I can't quite find where the > gui route > of doing this is described in the manual (the > save-symmetry-coords > command is there). > > Ed. > > -- > Coot verendus est > > > > > -- > .................................................................. > Dr. Cedric Bauvois > Cristallographie des protéines > Institut de Recherches Microbiologiques J.-M. Wiame -IRMW > Campus CERIA - Av. E. Gryson, 1 > B-1070 Bruxelles, BELGIUM > e-mail: [email protected] > tél: +32 (0)2 5273634 > fax: +32 (0)2 5267273 > .................................................................. -- Coot verendus est
