Dear CCP4,
In our automated data processing and refinement pipeline, phaser
sometimes comes up with solutions in non-standard settings (e.g. P 21 2
21). These solutions subsequently fail in autobuster and it turned out
that this is because autobuster invokes sftools and sftools apparently
is not
Dear Herman,
please find attached a patch for sftools that will add support
for the following non-standard space group settings:
A2, C21, I21, P2122, P2212, P21221, P22121
Note: the number for I21 follows the upcomming change to
syminfo.lib: 3004 - 5005.
diffstat -p0
and would not need to be patched.
Best,
Herman
-Original Message-
From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of
Claus Flensburg
Sent: Wednesday, September 01, 2010 1:18 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Sftools can not handle non-standard settings
: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of
Claus Flensburg
Sent: Wednesday, September 01, 2010 1:18 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Sftools can not handle non-standard settings?
Dear Herman,
please find attached a patch for sftools that will add support
