Of Miller,
Mitchell D.
Sent: Thursday, September 02, 2010 6:31 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Sftools and Phaser compatibility issues - continued
FYI --
The :h suffix for R3 is described in the IUCr symmetry cif (intl tables vol G
chapter 4.7) under _space_group.reference_setting
Dear bulletin board,
After downloading and recompiling the complete CCP4 package (we had the
precompiled 32bits version on our 64bits machines) we were able to apply
the patches of Claus and the problem case P21221 went through without
problems.
However, with the next problem case tested,
I'm sure it would be a good thing if SFTOOLS recognised all possible space
groups, but I wonder why you are using SFTOOLS at all. I've almost never had
the need to use it myself. Space group changes and many other things can be
done with CAD for example
Phil
On 2 Sep 2010, at 13:31,
neccessary, but use other program for more serious purposes.
Herman
-Original Message-
From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of
Phil Evans
Sent: Thursday, September 02, 2010 3:02 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Sftools and Phaser compatibility
On Thu, Sep 2, 2010 at 5:31 AM, herman.schreu...@sanofi-aventis.com wrote:
The other question is: why does phaser write 'R 3 :H' in the mtz? When
the problem with the P21221 space group first popped up last year, Randy
told me that space group numbers like 2018 are non-standard, and that
Well, CCP4 programs using the core libraries should ignore the
spacegroup symbol and use the operators instead, which bypasses the
whole problem. I would advise anyone using the CCP4 libraries in their
own programs to do the same.
That works for mtz and map, but not for pdb files of course.
bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Nat Echols
Sent: Thursday, September 02, 2010 8:06 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Sftools and Phaser compatibility issues - continued
On Thu, Sep 2, 2010 at 5:31 AM, herman.schreu...@sanofi-aventis.com wrote:
The other question
