SCALEPACK unit cell params

CS Raman raman at HEMEBASE.BIO.UCI.EDU
Sat Jan 3 13:27:19 EST 1998


Yoram:

{*} If anyone would like to settle a debate here:
{*} 
{*} Which unit cell parameters from SCALEPACK should you use?  It seems
{*} to me like the parameters in the outout .hkl file are always
{*} those from the very first .x file, so you should use the
{*} parameters refined in the SCALEPACK log file.
{*} 
{*} Is this correct?  (I certainly hope it is!)  And if so,
{*} are there any plans to fix this "feature"?

Well, it is always a good idea to extract the refined unit
cell params (at the end of mosaicity refinement) from scalepack
output and paste it to the foo.hkl file.  I don't know about
plans on fixing this problem, but, if you don't do this,
then certain programs in CCP4 will use the wrong params
in calculations.  It is only a minor inconvenience.

Cheers
-raman
___________________________________________________________________
C.S.Raman                    Tel: (714) 824-4322
University of California     Fax: (714) 824-3280
Dept. MB & B, SH530          email: craman at uci.edu
3205 Bio Sci II
Irvine, CA 92697-3900
-------------------------------------------------------------------
In a time of drastic change it is the learners who inherit the 
future.  The learned usually find themselves equipped to live
in a world that no longer exists.  --Eric Hoffer
___________________________________________________________________

___________________________________________________________________
C.S.Raman                    Tel: (714) 824-4322
University of California     Fax: (714) 824-3280
Dept. MB & B, SH530          email: craman at uci.edu
3205 Bio Sci II
Irvine, CA 92697-3900
-------------------------------------------------------------------
In a time of drastic change it is the learners who inherit the 
future.  The learned usually find themselves equipped to live
in a world that no longer exists.  --Eric Hoffer
___________________________________________________________________




More information about the Xtal-log mailing list