From owner-chemistry@ccl.net Mon Mar 30 20:20:00 2009 From: "Francisco Hernandez-Guzman fhernand\a/accelrys.com" To: CCL Subject: CCL: Cartesian symmetry operations Message-Id: <-38974-090330201820-29202-RqaXVAH7qzpJaWbBFc/Wrg * server.ccl.net> X-Original-From: Francisco Hernandez-Guzman Content-Language: en-US Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="us-ascii" Date: Mon, 30 Mar 2009 19:15:55 -0400 MIME-Version: 1.0 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 ---------------------------------------------------------------------------= ----------- Accelrys Support: 1-800-756-4674 E-mail: support-#-accelrys.com -----Original Message----- > From: owner-chemistry+fhernandez=3D=3Daccelrys.com-#-ccl.net [mailto:owner-ch= emistry+fhernandez=3D=3Daccelrys.com-#-ccl.net] On Behalf Of Rick Venable ven= abler-*-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, =20 --=20 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 -=3D This is automatically added to each message by the mailing script =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt