From chemistry-request@server.ccl.net Sat May 19 06:33:26 2001 Received: from gwdu42.gwdg.de ([134.76.10.26]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4JAXPI05836 for ; Sat, 19 May 2001 06:33:25 -0400 Received: from gwdu20.gwdg.de ([134.76.98.2] ident=awittko) by gwdu42.gwdg.de with smtp (Exim 3.14 #22) id 151431-00075A-00 for chemistry@ccl.net; Sat, 19 May 2001 12:33:23 +0200 Received: from localhost by gwdu20.gwdg.de (5.65v4.0/1.1.10.5/11Feb98-0154PM) id AA21460; Sat, 19 May 2001 12:33:19 +0200 Date: Sat, 19 May 2001 12:33:18 +0200 (MET DST) From: Alexander Wittkopp To: chemistry@ccl.net Subject: amber and charmm Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear all, could anybody tell me what the abbreviations AMBER and CHARMM stand for? Any help is appreciated, Alex ******************************************************************************* ("`-/")_.-'"``-._ Alexander Wittkopp (. . `) -._ )-;-,_() Institut fuer Organische Chemie (v_,)' _ )`-.\ ``- Georg-August Universitaet _;- _,-_/ / ((,' Tammannstrasse 2 ((,.-' ((,/ 37077 Goettingen Email: awittko@gwdg.de URL: http://www.gwdg.de/~awittko Germany Phone: +49-(0)551-393290 Fax: +49-(0)551-399475 "eine ungerade Zahl, am besten prim hat immer guenstige Auswirkungen auf cache-trashing." T. Nau ******************************************************************************* From chemistry-request@server.ccl.net Sat May 19 08:56:44 2001 Received: from uscmail.usc.es ([193.144.75.8]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4JCuhI08398 for ; Sat, 19 May 2001 08:56:44 -0400 Received: from calimero.usc.es (uscppp09.cesga.es [193.144.35.54]) by uscmail.usc.es (8.9.1/8.9.1) with ESMTP id OAA25064 for ; Sat, 19 May 2001 14:56:40 +0200 (MET DST) Message-Id: <4.3.1.2.20010519145136.00c9c430@uscmail.usc.es> X-Sender: qocruces@uscmail.usc.es X-Mailer: QUALCOMM Windows Eudora Version 4.3.1 Date: Sat, 19 May 2001 14:57:29 +0100 To: chemistry@ccl.net From: Jacobo Cruces Colado Subject: CAS Registry Numbers algorithm Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Dear all: Searching the archives of CHMINF-L@LISTSERV.INDIANA.EDU (URL is http://listserv.indiana.edu/archives/chminf-l.html), I found out the algorithm used to generate the checksum number of every CAS RN. Since it could be of interest for some people in the list, I will reproduce the text here (thanks to the original sender, Gary Wiggins; I hope not to break any rule by reproducing this and giving the source): ALGORITHM: The last digit is a checksum digit of the unit integer of the summed products of multiplying the left-next-most integer by 1, followed by multiplying the left-next-most integer by 2, etc. e.g.'s: Acetone: RN= 67-64-1 1X4 + 2X6 + 3X7 + 4X6 = 61, and 1 is the checksum digit of RN=67-64-1. Butane: RN= 106-97-8 1X7 + 2X9 + 3X6 + 4X0 + 5X1 = 48, and 8 is the checksum digit of RN=106-97-8 However, other people has pointed out this algorithm to be defective: due to our decimal notation system, the same checksum number can be obtained for a transposed number. Comments?? From chemistry-request@server.ccl.net Sat May 19 11:11:05 2001 Received: from ivory.trentu.ca ([192.75.12.103]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4JFB5I09974 for ; Sat, 19 May 2001 11:11:05 -0400 Received: from trentu.ca ([204.225.13.50]) by trentu.ca (PMDF V5.2-32 #29543) with ESMTP id <01K3QV6T1OJI0015CE@trentu.ca> for chemistry@ccl.net; Sat, 19 May 2001 11:10:48 EDT Date: Sat, 19 May 2001 11:16:43 -0400 From: elewars Subject: Re: The names amber and charmm To: chemistry@ccl.net Message-id: <3B068E5B.C5C215F0@trentu.ca> MIME-version: 1.0 X-Mailer: Mozilla 4.7 [en] (WinNT; I) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit X-Accept-Language: en References: Hello, re the question about those names: AMBER Assisted Model Building with Energy Refinement CHARMM Chemistry at HARvard using Molecular Mechanics or Chemistry at HARvard Macromolecular Mechanics The academic version is CHARMM and the commercial version is CHARMm E. Lewars ====== Alexander Wittkopp wrote: > Dear all, > > could anybody tell me what the abbreviations AMBER and CHARMM stand > for? > > Any help is appreciated, > > Alex > > ******************************************************************************* > ("`-/")_.-'"``-._ > Alexander Wittkopp (. . `) -._ )-;-,_() > Institut fuer Organische Chemie (v_,)' _ )`-.\ ``- > Georg-August Universitaet _;- _,-_/ / ((,' > Tammannstrasse 2 ((,.-' ((,/ > 37077 Goettingen Email: awittko@gwdg.de URL: http://www.gwdg.de/~awittko > Germany Phone: +49-(0)551-393290 Fax: +49-(0)551-399475 > > "eine ungerade Zahl, am besten prim hat immer guenstige Auswirkungen auf > cache-trashing." > T. Nau > ******************************************************************************* > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net