-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 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 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.11 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOV8MbUxlJ7aRr7hoRApbGAKD7kSUGiz9jYT9B51YVjraSMxzulQCdFyt+ MiTKc3vKUFvj140JsybDQN8= =aiWT -----END PGP SIGNATURE-----
