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[ccp4bb] FW: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's |
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CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: FW: pointless (1.2.0) and enantiomorphic SG's From: Andrew Sharff A {- dot -} Sharff {- at -} ASTEX-THERAPEUTICS {- dot -} COM Date: 2007-11-09 me too ------------------------------------------------------------------ Andrew J. Sharff, D.Phil, Senior Research Associate, Astex Therapeutics Ltd, 436 Cambridge Science Park, Milton Road, Cambridge, CB4 0QA. Tel: 01223 226208 Fax: 01223 226201 Email: a.sharff@astex-therapeutics.com Web: www.astex-therapeutics.com -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eleanor Dodson Sent: 09 November 2007 13:51 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's As I often say!!! The mtz format should carry point group and alternate SGs - then be upgraded when youknow the correct SG.. Eleanor Phil Evans wrote: > It just picks the first in the list, to store in the output MTZ file, > which can only handle one (92 < 96) > Phil > > > On 8 Nov 2007, at 22:26, Bryan W. Lepore wrote: > >> when pointless (1.2.0) finds enantiomorphic SG's, what is the >> criterion for 'Selecting' one over the other? >> >> e.g. i ran pointless on some tetragonal data, and the enantiomorphs >> SG92/SG96 are selected as strong candidates >> >> Spacegroup TotProb SysAbsProb Reindex Conditions >> ( 92) 0.956 0.956 00l: >> l=4n, h00: h=2n (zones 1,2) >> ( 96) 0.956 0.956 00l: >> l=4n, h00: h=2n (zones 1,2) >> >> ... then pointless reports : >> >> Selecting space group P 41 21 2 as solutions are enantiomorphic >> Best Solution space group P 41 21 2 >> >> ... is that b/c pointless can only report one, and SG92 came up first? >> >> -bryan > > Disclaimer This communication is confidential and may contain privileged information intended solely for the named addressee(s). It may not be used or disclosed except for the purpose for which it has been sent. If you are not the intended recipient you must not review, use, disclose, copy, distribute or take any action in reliance upon it. If you have received this communication in error, please notify Astex Therapeutics Ltd by emailing A.Sharff@astex-therapeutics.com and destroy all copies of the message and any attached documents. Astex Therapeutics Ltd monitors, controls and protects all its messaging traffic in compliance with its corporate email policy. The Company accepts no liability or responsibility for any onward transmission or use of emails and attachments having left the Astex Therapeutics domain. Unless expressly stated, opinions in this message are those of the individual sender and not of Astex Therapeutics Ltd. The recipient should check this email and any attachments for the presence of computer viruses. Astex Therapeutics Ltd accepts no liability for damage caused by any virus transmitted by this email. E-mail is susceptible to data corruption, interception, unauthorized amendment, and tampering, Astex Therapeutics Ltd only send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof. Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science Park, Cambridge CB4 0QA under number 3751674 CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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