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#1 user guide needed

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nobody
None
5
2004-05-15
2004-05-15
Anonymous
No

Hi, I've enjoyed using the tools in cctbx in my research
in molecular crystals. I've been able to read in CIF's,
calculate wyckoff points, shift to new settings, and with
the use of other programs such as FINDSYM, move the
molecules and recalculate the space group. Python is
especially nice as a binding. What I was wondering was
if a formal user's guide might be written and would like to
volunteer to help do so (the papers are nice but are
somewhat scattered and not as useful to see a hands-
on demonstration of the commands). Likewise, from my
own research in crystallographic group theory such as
space group irreducible representations and so forth, I
was wondering if I might contribute modules to perform
these tasks in an effort to obtain your stated goal of an
electronic copy of the international tables. I'm a
chemical engineer at the University of Minnesota,
Twincities.

Brandon Keith
keith@cems.umn.edu

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