Hi Jason,
about the bug with 2bop, it's just the spacegroup which is mapped wrong
I think. If the PDB file is assigned correct, then 'R 3 2' should map to
the matrices which are stored for 'R 3 2 :R' within pymol (xray.py).
Hack to get correct result:
fetch 2bop
sym = cmd.get_symmetry('2bop')
sym[-1] = 'R 3 2 :R'
cmd.set_symmetry('2bop', *sym)
symexp mates, 2bop, 2bop, 6.0
Cheers,
Thomas
Jason Vertrees wrote, On 04/16/10 05:39:
> PyMOLers,
>
> A bug was brought to my attention to day in the symmetry expansion
> command (try it on 2bop). If you have issues with the symexp command
> in your work, please check out the hastily-written and really-slow,
> but correct (for my test cases), manual symmetry expansion script:
> http://pymolwiki.org/index.php/ManualSymExp.
>
> I am working on a fix.
>
> Last, PyMOLers wrote three other cool scripts and deposited them on
> the wiki this week--check those out, too.
>
> Cheers,
>
> -- Jason
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