Indeed, the feature "save all symmetry-related molecules of molecule i
within X Angstroms of position P" does not exist in Coot.
However, I wonder why you would want to do this. If I wanted to
generate the biological assembly, then I'd use the PISA assembly
interface to do that.
On 23/02/11 17:41, Ed Pozharski wrote:
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
..................................................................
