Phil,
For the record, the program XPREP - widely used by small molecule
crystallographers but also useful for macromoleculess - always
makes the conventional cell (in this example P 21 21 2) the default
(i.e. what you get if you always hit Enter), and writes out new
.hkl and .ins files in
Phil,
It also affects centred monoclinic: to avoid some cases of beta 120
you have to use the I121 setting instead of C121 (and it is a
conventional setting, see IT vol. A pp.126-7). For example the
conventional (but non-standard) I121 setting: a=50 b=60 c=51 beta=90.2
would I think be
Hi Phil,
Just in case anyone was used to the old default behaviour (and like to use the
current version of Arp/wArp ;oD) could you ensure that there is an option which
will allow the automatic reindexing to the old default setting?
Thanks,
Graeme
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