Sebastiano Pasqualato wrote:
Hi Paul, hi all.
I have noticed that coot can't deal with spacegroup information of cns
files.
I have to substitute this:
CRYST1 87.188 49.276 132.627 90.00 108.88 90.00 P 21
with this:
CRYST1 87.188 49.276 132.627 90.00 108.88 90.00 P 1 21 1
to have the symmetry displayed properly.
Could you make coot be able to read the cns format too,
I'll think about it.
or is there a
script that handle this?
;; This will force "P 1 21 1" down the throat of all model molecules
;; whose space group is unknown.
(map (lambda (n) (if (string=? (show-spacegroup n) "No spacegroup")
(set-space-group n "P 1 21 1"))) (model-molecule-list))
Paul.
