Sorry for adding confusion- of course in reciprocal space beta* should be
acute. The figures should have been labeled a, c not h,L.
Edward A. Berry wrote:
Gregory Bowman wrote:
Yes, but I don't actually want to swap a and c (convention that a is shorter
than c),
but instead flip k and keep h a
Gregory Bowman wrote:
Yes, but I don't actually want to swap a and c (convention that a is shorter
than c), but instead flip k and keep h and l the same. Incidentally, it is not
immediately obvious to me why in matrix I cited below that the new l is h+l:
-1 0 0
0 -1 0
1 0 1
Greg
Because -a a
Hi Greg,
you could also CAD them into one huge mtzfile with different labels e.g.
FP_Lig1, FP_Lig2 etc. Then they would be the way you need them for direct
comparison in Coot, Pymol or whatever program you wish to use.
Jürgen
On Aug 26, 2011, at 11:55 AM, Gregory Bowman wrote:
Hi all,
We ha
Gregory Bowman wrote:
Hi all,
We have several primitive monoclinic datasets for the same protein with various ligands,
with essentially the same unit cell parameters. We would like to have these with the
molecules/density oriented the same way for easy comparison, but as chance would have it,
Hi
Yes, in the CCP4 world, pointless is the program for you.
On 26 Aug 2011, at 17:00, Tim Gruene wrote:
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Dear Greg,
with XDS I normally set "REFERENCE_DATA_SET" to the first one
indexed /
integrated in order to maintain consistent indexing bet
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Dear Greg,
with XDS I normally set "REFERENCE_DATA_SET" to the first one indexed /
integrated in order to maintain consistent indexing between data sets.
Not sure whether similar options are available in other integration
programs, but if I remember c
Hi all,
We have several primitive monoclinic datasets for the same protein with various
ligands, with essentially the same unit cell parameters. We would like to have
these with the molecules/density oriented the same way for easy comparison, but
as chance would have it, some have effectively
