Hi all,
we have been running into a space group issue when we start phaser (2.5.1)
through ccp4i since the installation of ccp4-6.3.0:
We typically scale data in the point group and then let Phaser go through
various space groups. Even though the corresponding line appears in the input
file
SGALTERNATIVE SELECT LIST
SGALTERNATIVE TEST P41
rotation and translation function would only run in the space group provided by
the mtz file. Obviously it does not matter for the rotation function.
As a work around one can edit the input file (run& view com file), by replacing
the two lines mentioned above with
SPACEGROUP P41
This is a bit inconvenient though.
Any ideas what is going wrong with the standard way?
Cheers,
Jan
--
Jan Abendroth
Emerald BioStructures
Seattle / Bainbridge Island WA, USA
home: Jan.Abendroth_at_gmail.com
work: JAbendroth_at_embios.com
http://www.emeraldbiostructures.com
