Hi all,
I am running Coot 0.5.2 on an intel Mac 10.5.6. I am trying to
visualize the symmetry related molecules for a small inorganic molecule
in spacegroup P 21/C. If I load the file into swiss PDB viewer or
Mercury, the symmetry operators show that I have 4 molecules in my unit
cell and a pretty orderly looking packing scheme. Coot, however, does
not seem to like the P 21/C spacegroup. I changed the CRYST1 line to read
CRYST1 25.000 6.082 11.308 90.00 100.04 90.00 P 1 21/c 1
If I go to Draw->cell and symmetry-> master switch: show symmetry
related atoms-> yes
I get a very cramped unit cell with many more than just 4 molecules
within. I tried to ask coot what it thinks my spacegroup and symmetry
operators were to reconcile this result with those of mercury and swiss
viewer.
It recognizes the spacegroup as P 1 21/c 1.
coot> (show-spacegroup 0)
"P 1 21/c 1"
If I then ask coot to show-symmetry I get the following
coot> (show-symmetry 0)
Backtrace:
In current input:
8: 0* (show-symmetry 0)
<unnamed port>:8:1: In expression (show-symmetry 0):
<unnamed port>:8:1: Unbound variable: show-symmetry
ABORT: (unbound-variable)
Am I doing something dumb here? Thank you in advance.
-Jennifer
