You can check for consistent indexing using the program Pointless. The more
recent versions (from version 1.5.0, perhaps best obtained from
ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/) can use a PDB file as the reference
(calculating structure factors from coordinates)
Phil
On 10 Aug 2010, at 06:58,
Should work if you have the same indexing convention..
Another of Kevins utilities;
csymmmatch -pdbin old.pdb -pdbin-ref SADbuild.pdb -origin-hand
will compare the two models, and correct for symmetry and alternates due
to reindexing I believe..
Eleanor
wtempel wrote:
Dear colleagues,
Dear colleagues,
here is one cunning plan:
to quickly evaluate the anomalous signal of a test data set with a
non-interactive script that:
1. solves the structure using SAD
2. does some solvent flattening
3. compares the resulting phases against calculated phases from a
refined, isomorphous
There are two different but equally good ways of indexing the reflections
in space group I213, so there is a 50% chance that your new solution and
the refined structure will be indexed differently, in which case the
phases will not agree. Also you can easily improve the experimental phases
from
