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 between data sets.
Not sure whether similar options are available in other integration
programs, but if I remember correctly, pointless also offers
reindexing.
Cheers, Tim
On 08/26/2011 05:55 PM, 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, some have effectively the opposite "k" index, which of course
puts these molecules/density (relatively) upsidedown. I was
wondering how people typically deal with this. I found what I
believe to be the answer of reindexing monoclinic h, k, l to -h, -
k, h+l to keep the system right handed and flip k. For this it
seems that SFTOOLS would be appropriate? Is this reindexing
commonly done at the stages of integration (altering rotx roty rotz
in HKL2000) or scaling?
Thanks,
Greg
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre,
Hills Road, Cambridge, CB2 0QH
