Re: AMORE

[Qinghua Wang <qhw@mrc-lmb.cam.ac.uk>]

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Thanks to all who replied. Inspired by your suggestions, I included the
extra non-standard four spacegroups in the symop.lib, and redo the
molecular replacement. The spacegroup p22121 pops up giving a quite high
coefficient of 65% in TRAFUN and 70% in FITFUN, while the others have an
average value of 40% in TRAFUN and 50% in FITFUN.

Now, I am considering to reindex the crystal (p22121) into the standard
spacegroup for symm 18 (p21212). But I am not sure how many symmetry
operations are possible, in this case. Therefore, asking for help again.
Thanks a lot!

Qinghua