CCL: Cartesian symmetry operations



 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
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 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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