From chemistry-request@ccl.net Thu Sep 18 03:02:06 2003 Received: from mail.fescomail.net ([202.94.7.253]) by server.ccl.net (8.12.8/8.12.8) with SMTP id h8I71RAg017607 for ; Thu, 18 Sep 2003 03:01:31 -0400 Received: (qmail 25190 invoked by uid 2000); 18 Sep 2003 15:02:30 -0000 Message-ID: <20030918150230.25187.qmail~at~mail.fescomail.net> From: "xiongying99" To: CHEMISTRY~at~ccl.net Subject: CCL: I can't see the autodocktool at the terminal window in PC Date: Thu, 18 Sep 2003 15:02:30 +0000 Mime-Version: 1.0 Content-Type: text/plain; format=flowed; charset="gb2312" Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.7 required=7.0 tests=FROM_ENDS_IN_NUMS version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Hi, everybody: Now I had installe the autodocktool(ADT) in a SGI/IRIX workstation and it works normally. I want to operate it on my PC with a terminal window. So I use a software named Hummingbird Connectivity to see the autodocktool at the terminal window in PC. However the following is error information: --------------------------------------------------------------- TclError: Togl: X server has no OpenGL GLX extension --------------------------------------------------------------- Could you please tell me something about "OpenGL GLX extension" and how to deal with problem? Would you like to recommend some other software which can use a good terminal window? Ying Xiong ---------------------------------------------------------------- FESCOmail.net From chemistry-request@ccl.net Thu Sep 18 03:38:00 2003 Received: from mailserver.unimi.it (mailserver.unimi.it [159.149.10.5]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h8I7bSAg024929 for ; Thu, 18 Sep 2003 03:37:29 -0400 Received: from smtp.unimi.it (smtp.unimi.it [159.149.10.3]) by mailserver.unimi.it (iPlanet Messaging Server 5.2 Patch 1 (built Aug 19 2002)) with ESMTP id <0HLE0093IFUGE5~at~mailserver.unimi.it> for CHEMISTRY~at~ccl.net; Thu, 18 Sep 2003 09:37:28 +0200 (MEST) Received: from villa (villa.farma.unimi.it [159.149.79.66]) by smtp.unimi.it (iPlanet Messaging Server 5.1 (built May 7 2001)) with SMTP id <0HLE00I2KFUESZ~at~smtp.unimi.it> for CHEMISTRY~at~ccl.net; Thu, 18 Sep 2003 09:37:27 +0200 (MEST) Date: Thu, 18 Sep 2003 09:36:06 +0200 From: Giulio Vistoli Subject: Re: CCL:molecule substructure searching algorithms To: Mingyue Zheng , CHEMISTRY~at~ccl.net Message-id: <002201c37db7$852e3130$424f959f@villa> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 X-Mailer: Microsoft Outlook Express 6.00.2800.1158 Content-type: text/plain; charset=GB18030 Content-transfer-encoding: 7BIT X-Priority: 3 X-MSMail-priority: Normal References: <002601c37d22$96bc9fd0$4c137fca~at~simm.ac.cn> X-Spam-Status: No, hits=-0.5 required=7.0 tests=REFERENCES version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Dear all, Our Vega program (http://www.ddl.unimi.it) includes a new language (ATDL) to search substructures and atom types. This language is easy, intuitive and it allows to describe atom types in a very detailed way. It is very useful for atomic parametrization and it was already used by several research groups. Moreover VEGA is an expandable program and anyone can take adventages from ATDL for own specific purposeses. Best regards Giulio Vistoli _________________________ Giulio Vistoli Istituto di Chimica Farmaceutica e Tossicologica Viale Abruzzi, 42 I-20131 Milano Italia Tel. +39-02-50317545 Fax +39-02-50317565 giulio.vistoli~at~unimi.it http://www.ddl.unimi.it From chemistry-request@ccl.net Wed Sep 17 16:48:51 2003 Received: from exmails1.chem.ucla.edu (exmails1.chem.ucla.edu [169.232.134.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h8HKmIAg026303 for ; Wed, 17 Sep 2003 16:48:19 -0400 Received: from [128.97.147.215] (ch-15.psnet.ucla.edu [128.97.147.215]) (authenticated bits=0) by exmails1.chem.ucla.edu (8.12.8/8.12.8) with ESMTP id h8HKmF7s012617; Wed, 17 Sep 2003 13:48:17 -0700 Mime-Version: 1.0 X-Sender: scerri|at|chlorine.chem.ucla.edu (Unverified) Message-Id: Date: Wed, 17 Sep 2003 13:48:14 -0700 To: history of chemistry From: Eric Scerri Subject: volume 5, #3, Foundations of Chemistry Cc: CHEMED-L|at|MAILER.UWF.EDU, PHILCHEM|at|LISTSERV.SC.EDU, CHEM-EDUCATION|at|JISCMAIL.AC.UK, ccl Content-Type: multipart/alternative; boundary="============_-1148290799==_ma============" X-Spam-Status: No, hits=1.1 required=7.0 tests=HTML_60_70,HTML_FONT_BIG,HTML_FONT_COLOR_BLUE, HTML_FONT_COLOR_RED,HTML_FONT_COLOR_UNSAFE, HTML_FONT_FACE_ODD,HTML_MESSAGE version=2.55 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) --============_-1148290799==_ma============ Content-Type: text/plain; charset="iso-8859-1" ; format="flowed" Content-Transfer-Encoding: quoted-printable Latest Issue of =46oundations of Chemistry, http://www.kluweronline.com/issn/1386-4238 vol 5, No. 3 (2003) pp. 185-188 Editorial 15 Eric R. Scerri pp. 189-214 Mendeleev's Discovery of the Periodic Law: The Origin and the Reception Masanori Kaji pp. 215-236 The Aesthetics of Molecular Representation: From the Empirical to the Constitutive Tami I. Spector pp. 237-247 Philosophy of Chemistry and Limits of Complexity Hrvoj Vanc=9Dik pp. 249-252 Cathy Cobb: Magick, Mayhem, and Mavericks: The Spirited History of Physical Chemistry Shawn B. Allin pp. 253-261 Maureen Christie: The Ozone Layer. A Philosophy of Science Perspective Paul Needham pp. 263-263 Author Index Volume 5 pp. 265-266 Contents of Volume 5 pp. 267-273 Instructions for Authors --============_-1148290799==_ma============ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable volume 5, #3, Foundations of Chemistry

Latest Issue of

Foundations of Chemistry,

http://www.kluweronline.com/issn/1386-4238



vol 5, No. 3  (2003)

pp. 185-188     Editorial 15
Eric R. Scerri
       
pp. 189-214     Mendeleev's Discovery of the Periodic Law: The Origin and the Reception
Masanori Kaji
       
pp. 215-236     The Aesthetics of Molecular Representation: From the Empirical to the Constitutive
Tami I. Spector
       
pp. 237-247     Philosophy of Chemistry and Limits of Complexity
Hrvoj Vanc=9Dik
       
pp. 249-252     Cathy Cobb: Magick, Mayhem, and Mavericks: The Spirited History of Physical Chemistry
Shawn B. Allin
       
pp. 253-261     Maureen Christie: The Ozone Layer. A Philosophy of Science Perspective
Paul Needham
 

pp. 263-263     Author Index Volume 5


pp. 265-266     Contents of Volume 5

 
pp. 267-273     Instructions for Authors

       
--============_-1148290799==_ma============-- From chemistry-request@ccl.net Wed Sep 17 16:18:50 2003 Received: from MMSSERVER.chla.usc.edu (chl179129.usc.edu [128.125.179.129]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h8HKIJAg022225 for ; Wed, 17 Sep 2003 16:18:19 -0400 Received: from 10.3.1.165 by MMSSERVER.chla.usc.edu with ESMTP (CHLA SMTP Relay (MMS v5.5.2)); Wed, 17 Sep 2003 13:20:21 -0700 Received: by NTSMTP01 with Internet Mail Service (5.5.2653.19) id ; Wed, 17 Sep 2003 13:18:09 -0700 Message-ID: <73564B8DE398D61180500008C75D7E49033E5D6C@NTMAIL03> From: "Pandey, Jaya" To: "'chemistry{at}ccl.net'" Subject: RE: Chemical compounds library Date: Wed, 17 Sep 2003 13:18:07 -0700 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) X-WSS-ID: 13761D8F311560-01-01 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=-1.0 required=7.0 tests=ORIGINAL_MESSAGE,QUOTED_EMAIL_TEXT version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Dear All, Can someone suggest me a free chemical library on the web that I can use for docking to my receptor, Regards, Jaya -----Original Message----- From: Geoff Hutchison To: Mingyue Zheng Cc: chemistry{at}ccl.net Sent: 9/17/03 12:10 PM Subject: CCL:molecule substructure searching algorithms > The first problem harassing me is how to efficiently recognize and > sign a specific > functional group in a molecule. > > Is here anyone who could tell me where can I find some open source > code for > molecule substructure searching algorithms, or any free program > dealing with it? There are several open source implementations of Daylight SMARTS. OpenBabel (C++) http://openbabel.sf.net/ JOELib (Java) http://joelib.sf.net/ It's quite easy to write SMARTS patterns for matching functional groups. http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html -Geoff -- -Geoff Hutchison Ratner/Marks Groups (847) 491-3295 Northwestern Chemistry http://www.chem.northwestern.edu/ -= This is automatically added to each message by the mailing script =- To send e-mail to subscribers of CCL put the string CCL: on your Subject: line and send your message to: CHEMISTRY{at}ccl.net Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST{at}ccl.net HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs If your mail is bouncing from CCL.NET domain send it to the maintainer: Jan Labanowski, jkl{at}ccl.net (read about it on CCL Home Page) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+