CCL: Cartesian symmetry operations
- From: Francisco Hernandez-Guzman
<fhernand,,accelrys.com>
- Subject: CCL: Cartesian symmetry operations
- Date: Mon, 30 Mar 2009 19:15:55 -0400
Sent to CCL by: Francisco Hernandez-Guzman [fhernand%x%accelrys.com]
Hi Rick,
The transforms for P212121 (space group 19) are:
(x,y,z)
(-x+1/2,-y,z+1/2)
(-x,y+1/2,-z+1/2)
(x+1/2,-y+1/2,-z)
These are found in the 'International Tables for Crystallography - Volume A'.
Cheers,
Francisco
Francisco Hernandez-Guzman, Ph.D.
Lead Solutions Scientist, Protein Modeling, Simulations and X-ray - USA
Accelrys, Inc. (http://www.accelrys.com)
Office: (858) 799 - 5606
Fax: (858) 799 - 5100
Mobile: (858) 361 - 3020
E-mail: fhernandez-#-accelrys.com
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-----Original Message-----
> From: owner-chemistry+fhernandez==accelrys.com-#-ccl.net [mailto:owner-chemistry+fhernandez==accelrys.com-#-ccl.net]
On Behalf Of Rick Venable venabler-*-nhlbi.nih.gov
Sent: Monday, March 30, 2009 2:54 PM
To: Francisco Hernandez-Guzman
Subject: CCL: Cartesian symmetry operations
Sent to CCL by: Rick Venable [venabler~!~nhlbi.nih.gov]
I'm looking for the Cartesian symmetry operations for the P21212 space
group; for the P21 space group the coordinate tranformation is
(-X,Y+1/2,-Z)
but I need to know the 3 transforms for P21212, a less common space group.
Pointers to online sources or the transformations would be greatly
appreciated.
Regards,
--
Rick Venable 5635FL/T906
Membrane Biophysics Section
NIH/NHLBI Lab. of Computational Biology
Bethesda, MD 20892-9314 U.S.A.
(301) 496-1905 venabler AT nhlbi*nih*gov
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