From chemistry-request@ccl.net Mon Oct 11 09:53:01 2004 Received: from mail.mdli.com ([208.200.221.8]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i9BEqw1L004333 for ; Mon, 11 Oct 2004 09:52:58 -0500 Received: from exch-sl02.mdli.com (exch-sl02.mdli.com [172.16.3.10]) by mail.mdli.com (Postfix) with ESMTP id 6D0C5B7359 for ; Mon, 11 Oct 2004 07:53:43 -0700 (PDT) Received: by exch-sl02.mdli.com with Internet Mail Service (5.5.2657.72) id <4M0ZTT55>; Mon, 11 Oct 2004 07:53:43 -0700 Message-ID: From: Terry Wright To: CHEMISTRY[at]ccl.net Subject: CINF Program for the national ACS meeting, San Diego, March 13-17 , 2005: Call for papers Date: Mon, 11 Oct 2004 07:53:35 -0700 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2657.72) Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C4AFA2.1542090E" X-Spam-Status: No, hits=5.0 required=7.5 tests=HTML_50_60, HTML_FONTCOLOR_UNKNOWN,HTML_MESSAGE,NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This message is in MIME format. Since your mail reader does not understand this format, some or all of this message may not be legible. ------_=_NextPart_001_01C4AFA2.1542090E Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear all: =20 You and your colleagues are cordially invited to contribute papers for = the CINF (Division of Chemical Information) program at the 229th ACS = National Meeting, San Diego, CA, March 13-17, 2005. =20 The complete listing of session topics and organizers are listed below. Abstracts may be submitted electronically via the OASYS system on the = ACS web site: =20 The url is http://oasys.acs.org and then click = on the CINF hyperlink for access to all the sessions. Abstracts can be submitted until November 23, 2004. If you have questions about = individual sessions, please contact the associated session organizers. =20 Thanks for your interest and participation. =20 Terry Wright - CINF Program Chair MDL Information Systems 14600 Catalina Street San Leandro, CA 94577 =20 Phone: 510-357-2222 ext. 1392 Email: terryw~at~mdli.com =20 Complete CINF Program: =20 Symposium Title=20 Symposium Organizers=20 ADME/tox = Informatics=20 Cosponsored with COMP, MEDI, and TOXI ORAL=20 Osman F. G=FCner, Accelrys Inc, 9685 Scranton Road, San Diego, CA = 92121-3752, Phone: 858-799-5341, Fax: 858-799-5100, osman~at~accelrys.com =20 Applications = of information theory in chemistry=20 Cosponsored with COMP ORAL=20 Veerabahu Shanmugasundaram, Computer-Assisted Drug Discovery, Pfizer = Global Research & Development, 2800 Plymouth Road, Ann Arbor, MI 48105, Phone: 734-622-7131, Fax: 734-622-2782, Veerabahu.Shanmugasundaram~at~pfizer.com . Gerald M Maggiora, Department of Pharmacology and Toxicology, University of Arizona, = College of Pharmacy, Tucson, AZ 85721, Phone: 520-626-5905, maggiora~at~pharmacy.arizona.edu =20 Careers = in Chemical Information=20 Cosponsored with YCC ORAL=20 Philip Barnett, Science/Engineering Library, City College of New York, Convent Avenue at 138th Street, New York, NY 10031, Phone: = 212-650-8243, Fax: 212-650-7626, phibarn~at~sci.ccny.cuny.edu =20 Chemical = Information Needs for Marine Biology=20 Cosponsored with BIOL ORAL=20 Suresh B. Singh, Concurrent Pharmaceuticals, 502 West Office Center = Drive, Fort Washington, PA 19034, Phone: 215-461-2048, Fax: 215-461-2006, ssingh~at~concurrentpharma.com =20 Current = Status of e-Books=20 ORAL=20 Erja Kajosalo, Libraries, MAssachusetts Institute of Technology, = Building 14S-134, 77 Massachusetts Ave, Cambridge, MA 02139, Phone: = 617-253-9795, kajosalo~at~mit.edu =20 Emerging = Technologies: Image Data Management=20 ORAL=20 Laurel A. Harmon, Striatus, 8703 Webster Hills Road, Dexter, MI 48130, Phone: 734-426-6272, Fax: 734-661-0409, lharmon~at~striatus.com =20 General = Papers=20 ORAL=20 Terry Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA 94577, Phone: 510-357-2222, Fax: 510-614-3652, = terryw~at~mdli.com =20 Informatics = and High Throughput Experimentation=20 Cosponsored with MEDI ORAL=20 Mitchell A. Miller, Consultant, 955 Ridge Hill Lane, Suite 30, Midvale, = UT 84047, Phone: 801 569 1390, Fax: 208 445 0223, ChemMitch~at~yahoo.com =20 Informatics = Challenges for Startups=20 Cosponsored with SCHB ORAL=20 Terry Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA 94577, Phone: 510-357-2222, Fax: 510-614-3652, = terryw~at~mdli.com =20 Materials = Informatics=20 Cosponsored with FUEL, PETR, and POLY ORAL=20 Laurel A. Harmon, Striatus, 8703 Webster Hills Road, Dexter, MI 48130, Phone: 734-426-6272, Fax: 734-661-0409, lharmon~at~striatus.com =20 Poster = Session=20 POSTER=20 Terry Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA 94577, Phone: 510-357-2222, Fax: 510-614-3652, = terryw~at~mdli.com =20 Safe = = Exchange of Chemical Information: Can Relevant Chemical Information be Exchanged Without Disclosing Chemical Structures?=20 Cosponsored with COMP ORAL=20 Christopher A. Lipinski, Exploratory Medicinal Sciences, Pfizer Global Research and Development, Groton Laboratories (retired), Eastern Point = Road, mail stop 8200-36, Groton, CT 06340, Phone: 860-715-4656, Fax: = 860-715-3149, christopher_a_lipinski~at~groton.pfizer.com . Tudor I. Oprea, = Division of Biocomputing, University of New Mexico School of Medicine, MSC = 084560, 1 University of New Mexico, Albuquerque, NM 87131-0001, Phone: 505 272 = 6950, toprea~at~salud.unm.edu =20 Technical = Intelligence=20 ORAL Anthony J. Trippe, Science IP/Chemical Abstracts Service, 2540 = Olentangy River Rd., Columbus, OH 43210, Phone: 614-447-3761, atrippe~at~cas.org =20 The = = Future of Scientific Publishing=20 Cosponsored with CSA Trust ORAL Guenter Grethe, Consultant, 352 Channing Way, Alameda, CA 94502-7409, = Phone: 510-333-7526, Fax: 510-865-5152, ggrethe~at~comcast.net =20 =20 =20 =20 ------_=_NextPart_001_01C4AFA2.1542090E Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

Dear all:

 

You and your colleagues are cordially invited to = contribute papers for the CINF (Division of Chemical Information) program at the = 229th ACS National = Meeting, San Diego, CA, March 13-17, 2005.

 

The complete listing of session topics and = organizers are listed below. Abstracts may be submitted electronically via the OASYS = system on the ACS web site:

 

The url is http://oasys.acs.org and then click on the CINF hyperlink for access to all the sessions. = Abstracts can be submitted until November 23, 2004. If you have questions about individual sessions, please contact the associated session = organizers.

 

Thanks for your interest and = participation.

 

Terry Wright – CINF Program = Chair

MDL Information = Systems

14600 = Catalina Street

San = Leandro, CA = = 94577

 

Phone: 510-357-2222 ext. = 1392

Email: = terryw~at~mdli.com

 

Complete CINF Program:

 

Symposium Title

Symposium Organizers

ADME/tox Informatics
Cosponsored with COMP, MEDI, and = TOXI
ORAL =

Osman F. = G=FCner, Accelrys Inc, 9685 Scranton Road, San Diego, CA 92121-3752, Phone: 858-799-5341, Fax: 858-799-5100, osman~at~accelrys.com<= /p>

Applications of information theory in chemistry
Cosponsored with = COMP
ORAL =

Veerabahu Shanmugasundaram, Computer-Assisted Drug Discovery, Pfizer Global = Research & Development, 2800 Plymouth Road, Ann Arbor, MI 48105, Phone: 734-622-7131, Fax: 734-622-2782, Veerabahu.Shanmuga= sundaram~at~pfizer.com. Gerald M Maggiora, Department of Pharmacology and Toxicology, = University of Arizona, College of Pharmacy, Tucson, AZ 85721, Phone: 520-626-5905, = maggiora~at~pharmacy.arizona.= edu

Careers in Chemical Information
Cosponsored with = YCC
ORAL =

Philip = Barnett, Science/Engineering Library, City College of New York, Convent Avenue = at 138th Street, New York, NY 10031, Phone: 212-650-8243, Fax: = 212-650-7626, phibarn~at~sci.ccny.cuny.edu<= /span>

Chemical Information Needs for Marine Biology
Cosponsored with = BIOL
ORAL

Suresh B. = Singh, Concurrent Pharmaceuticals, 502 West Office Center Drive, Fort = Washington, PA 19034, Phone: 215-461-2048, Fax: 215-461-2006, ssingh~at~concurrentpharma.com<= /a>

Current Status of e-Books
ORAL =

Erja = Kajosalo, Libraries, MAssachusetts Institute of Technology, Building 14S-134, = 77 Massachusetts Ave, Cambridge, MA 02139, Phone: 617-253-9795, kajosalo~at~mit.edu

Emerging Technologies: Image Data Management
ORAL =

Laurel A. = Harmon, Striatus, 8703 Webster Hills Road, Dexter, MI 48130, Phone: = 734-426-6272, Fax: 734-661-0409, lharmon~at~striatus.com

General Papers
ORAL =

Terry = Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA = 94577, Phone: 510-357-2222, Fax: 510-614-3652, terryw~at~mdli.com

Informatics and High Throughput Experimentation
Cosponsored with = MEDI
ORAL =

Mitchell A. = Miller, Consultant, 955 Ridge Hill Lane, Suite 30, Midvale, UT 84047, Phone: = 801 569 1390, Fax: 208 445 0223, ChemMitch~at~yahoo.com

Informatics Challenges for Startups
Cosponsored with = SCHB
ORAL =

Terry = Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA = 94577, Phone: 510-357-2222, Fax: 510-614-3652, terryw~at~mdli.com

Materials Informatics
Cosponsored with FUEL, PETR, and = POLY
ORAL =

Laurel A. = Harmon, Striatus, 8703 Webster Hills Road, Dexter, MI 48130, Phone: = 734-426-6272, Fax: 734-661-0409, lharmon~at~striatus.com

Poster Session
POSTER =

Terry = Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA = 94577, Phone: 510-357-2222, Fax: 510-614-3652, terryw~at~mdli.com

Safe Exchange of Chemical Information: Can Relevant Chemical Information = be Exchanged Without Disclosing Chemical Structures?
Cosponsored with = COMP
ORAL =

Christopher = A. Lipinski, Exploratory Medicinal Sciences, Pfizer Global Research and Development, Groton Laboratories (retired), Eastern Point Road, mail = stop 8200-36, Groton, CT 06340, Phone: 860-715-4656, Fax: 860-715-3149, christopher_a_l= ipinski~at~groton.pfizer.com. Tudor I. Oprea, Division of Biocomputing, University of New Mexico = School of Medicine, MSC 084560, 1 University of New Mexico, Albuquerque, NM = 87131-0001, Phone: 505 272 6950, toprea~at~salud.unm.edu

Technical Intelligence
ORAL

Anthony J. = Trippe, Science IP/Chemical Abstracts Service, 2540 Olentangy River Rd., = Columbus, OH 43210, Phone: 614-447-3761, atrippe~at~cas.org

The Future of Scientific Publishing
Cosponsored with CSA = Trust
ORAL

Guenter = Grethe, Consultant, 352 Channing Way, Alameda, CA 94502-7409, Phone: = 510-333-7526, Fax: 510-865-5152, ggrethe~at~comcast.net



 

 

 

------_=_NextPart_001_01C4AFA2.1542090E-- From chemistry-request@ccl.net Mon Oct 11 10:10:22 2004 Received: from wmail.atlantic.net (wmail.atlantic.net [209.208.112.158]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i9BFAL1L006237 for ; Mon, 11 Oct 2004 10:10:21 -0500 Received: (qmail 27170 invoked by uid 89); 11 Oct 2004 15:21:54 -0000 Received: from unknown (HELO ?12.27.134.96?) (patrick~at~hyper.com@12.27.134.96) by wmail.atlantic.net with SMTP; 11 Oct 2004 15:21:54 -0000 Message-ID: <416AA568.802~at~hyper.com> Date: Mon, 11 Oct 2004 11:23:20 -0400 From: Joe Patrick User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.7.1) Gecko/20040707 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry~at~ccl.net Subject: HyperChem Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Good Day, I would like to thank everyone for their responses. Your comments have been received and will be referenced as we move forward. Best Regards, Joe Patrick From chemistry-request@ccl.net Mon Oct 11 14:51:21 2004 Received: from smtp3.Stanford.EDU (smtp3.Stanford.EDU [171.67.16.138]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i9BJpKWi007681 for ; Mon, 11 Oct 2004 14:51:20 -0500 Received: from cardinal5.Stanford.EDU (cardinal5.Stanford.EDU [171.64.15.253]) by smtp3.Stanford.EDU (8.12.11/8.12.11) with ESMTP id i9BK2wLu018045; Mon, 11 Oct 2004 13:02:58 -0700 Date: Mon, 11 Oct 2004 13:02:58 -0700 (PDT) From: "S.I.Gorelsky" To: Joe Patrick cc: chemistry..at..ccl.net Subject: CCL:HyperChem In-Reply-To: <416AA568.802..at..hyper.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hello, here is my wish list for HyperChem: 1. Improvements in speed for ab initio and DFT calculations (I think, this is the weakest point of HyperChem right now) 2. More print options for output files (for example, the overlap matrix, the Fock matrix, etc.) With best regards, S.G. ---------------------------------------------------------------- Dr S.I. Gorelsky, Department of Chemistry, Stanford University Box 155, 333 Campus Drive, Stanford, CA 94305-5080 USA Phone: (650) 723-0041. Fax: (650) 723-0553. WWW: http://www.sg-chem.net ---------------------------------------------------------------- From chemistry-request@ccl.net Mon Oct 11 14:25:23 2004 Received: from hotmail.com (bay4-dav14.bay4.hotmail.com [65.54.170.118]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i9BJPMWi003886 for ; Mon, 11 Oct 2004 14:25:22 -0500 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Mon, 11 Oct 2004 12:37:00 -0700 Received: from 206.81.149.244 by BAY4-DAV14.phx.gbl with DAV; Mon, 11 Oct 2004 19:36:25 +0000 X-Originating-IP: [206.81.149.244] X-Originating-Email: [rwoodphd(at)msn.com] X-Sender: rwoodphd(at)msn.com From: "Richard Wood" To: References: <416AA568.802(at)hyper.com> Subject: Re: CCL:HyperChem Date: Mon, 11 Oct 2004 13:36:31 -0600 MIME-Version: 1.0 Content-Type: text/plain; format=flowed; charset="iso-8859-1"; reply-type=response Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2900.2180 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2900.2180 Message-ID: X-OriginalArrivalTime: 11 Oct 2004 19:37:00.0990 (UTC) FILETIME=[ADA6E5E0:01C4AFC9] X-Spam-Status: No, hits=2.6 required=7.5 tests=RCVD_IN_DYNABLOCK, RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net I would also think that a single point calculation could be saved and restarted again. Richard Richard L. Wood, Ph. D. Computational Chemist Hyrum, UT 84319 ----- Original Message ----- From: "Joe Patrick" To: Sent: Monday, October 11, 2004 9:23 AM Subject: CCL:HyperChem > Good Day, > > I would like to thank everyone for their responses. Your comments have > been received and will be referenced as we move forward. > > Best Regards, > Joe Patrick > > > -= 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, jlabanow(at)nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > >