From D.Winkler@chem.csiro.au Fri May 12 01:35:38 1995 Received: from auric.chem.csiro.au for D.Winkler@chem.csiro.au by www.ccl.net (8.6.10/930601.1506) id BAA24804; Fri, 12 May 1995 01:23:39 -0400 Received: from [138.194.40.154] (mac-40154.chem.csiro.au) by auric.chem.csiro.au with SMTP id AA08739 (5.67b/IDA-1.5 for chemistry@ccl.net); Fri, 12 May 1995 15:18:38 +1000 X-Sender: win097@auric.chem.csiro.au Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 12 May 1995 15:20:07 +1000 To: anchodd@tasman.cc.utas.edu.au, aschin-list@nuscc.nus.sg, chminf-l@iubvm.ucs.indiana.edu, chemistry@ccl.net From: D.Winkler@chem.csiro.au (Dr. Dave Winkler) Subject: Registrations for International molecular design meeting, Cairns M O L E C U L A R D E S I G N D O W N U N D E R AUGUST 27 - SEPTEMBER 1 1995 CAIRNS INTERNATIONAL HOTEL, CAIRNS, NORTH QUEENSLAND, AUSTRALIA This meeting is the 14th Annual Conference of the Molecular Graphics and Modelling Society (MGMS) presented in 1995 in conjunction with the 12th Conference of the Medicinal and Agricultural Chemistry Division of the Royal Australian Chemical Institute (RACI). Note that the venue has changed >from the earlier posting due to a larger than anticipate response. SCIENTIFIC PROGRAM ------------------ The program consists of sessions covering five technology areas and five target areas: Chemical Similarity and Biological Diversity --------------------------------------------- Keynote Speaker: Dr. Jeffery Blaney, Chiron Corporation, USA Macromolecular Assemblies: the Supermodels of Molecular Design -------------------------------------------------------------- Keynote speaker: Dr. Phoebe Stewart, UCLA, USA Neural Nets and Fuzzy Sets -------------------------- Keynote speakers: Dr. David Livingston, Consultant, UK Dr. Gerry Maggiora, Upjohn Pharmaceuticals, USA Molecular Recognition --------------------- Keynote speakers: Dr. Barry Honig, Columbia University, USA Dr. Regine Bohacek, Ciba-Geigy, USA Molecular Dynamics: Deciphering the Data ----------------------------------------- Keynote Speaker: Dr. David Osguthorpe, University of Bath, UK Harnessing the Potential of Natural Products -------------------------------------------- Keynote speaker: Dr. Joe Baker, Australian Institute of Marine Science, Australia The Future of Peptidomimetics ----------------------------- Keynote speaker: Prof. Garland Marshall, Washington University, USA Glycoproteins and Glycobiology- New Wave Pharmaceuticals -------------------------------------------------------- Keynote Speaker: Dr. Peter Colman, Biomolecular Research Institute, Australia Focus on Australian Biomolecular Design and Development- Medicinal Targets -------------------------------------------------------------------------- Keynote Speaker: Prof. Graham Johnston, University of Sydney, Australia Focus on Australian Biomolecular Design and Development- Agricultural Targets ----------------------------------------------------------------------------- Keynote Speaker: Dr. George Holan, CSIRO Division of Chemicals and Polymers Australia CONFERENCE PROGRAM All sessions and functions will be held at the Cairns International Hotel beginning with the Welcoming Cocktail Party on Sunday evening and concluding Friday lunchtime. A Cruise to the Great Barrier Reef has been organized on Wednesday to be followed by a barbeque dinner in the evening. The Conference Dinner will be held on Thursday evening. The conference program includes oral and poster sessions. Oral papers will be presented in plenary sessions during the day. The Organizing Committee will select abstracts for oral presentation from the abstracts submitted with the registration form. Poster presentations are a major component of the scientific program with poster sessions on Monday, Tuesday and Wednesday evenings. INSTRUCTIONS FOR PREPARATION OF ABSTRACTS AND POSTERS Abstracts must be prepared for all presentations, both oral and poster. The original must reach the Conference Secretariat by May 15 for inclusion in the book of Abstracts that will be provided at the meeting. Two (2) camera-ready hard copies of the abstract should also be provided in the following style: - printed on one side of A4 bond white paper - 12pt Helvetica - 3cm margin on all sides - title in upper case - author(s) (full name) with presenting author indicated by * - the addresses of the authors - a single blank line should follow after the title, the authors' list and authors' addresses - full abstract in single spaced text All abstracts for oral presentation will be refereed. Successful presenters will be notified by June 15. They may also be emailed as attachments (binhexed or uuencoded) in MS Word, RTF or PostScript form. ADVICE TO SPEAKERS Audiovisual facilities will include dual standard 35mm slide projection, video and computer projection, overhead transparency projections and white boards. Speakers with other needs should contact the Conference Secretariat as soon as possible. POSTERS Posters will be presented on vertical, velcro-compatible panels 1 metre wide by 2.4 metres high. Posters may be viewed during the day but presenters will attend their poster during the assigned poster sessions on Monday, Tuesday and Wednesday evenings. REGISTRATION A registration form follows. Please complete the form and return along with your abstract and appropriate payment to the Conference Secretariat by May 15. Full registration entitles participants to the book of Abstracts, attendance at all sessions including the Sunday Welcoming Cocktail Party. The Wednesday evening BBQ and all morning and afternoon teas are also included. There are no single day registrations. Registration Fees (all prices are in Australian dollars: $1 = US$0.75) ----------------- Members (MGMS and RACI) $440 Non-members $520 Students $220 Late fee after May 15 $80 Conference dinner (Thursday) $50 Students are advised that they must complete the student section of the registration form to qualify for student rate. No registration fee will be charged for accompanying persons. STUDENT BURSARIES The MGMS provides financial assistance to students. Plese contact Dr. Mike Hann, Glaxo Research and Development (mmh1203@ggr.co.uk) before March 30 for details. The RACI is providing assistance for Australian students which includes free accomodation in Cairns and, if funds are available, some assistance with travel costs. For further details contact Prof. Peter Andrews, Centre for Drug Design and Development, University of Queensland (p.andrews@mailbox.uq.oz.au). CONFERENCE VENUE AND ACCOMODATION INFORMATION Sessions will be held in the Grand Ballroon of the Cairns International Hotel and poster sessions will be in the exhibition area and foyer outside exhibition area. A limited amount of accomodation has been reserved at this 5-star hotel for the conference. Check in is from 3pm. Cost: $175 per room, per night (max 2 adults/room) Block bookings have also been made at 4 other Cairns hotels: Reef Plaza: $115 per night, per room (4 min walk to conference venue) Rainbow palms: $115 per night, per room (20 min walk to conference venue) Rainbow Inn: $115 per night, per room (20 min walk to conference venue) Uptop Downunder: $45 per night, per room (max 4 adults/room) (10 min walk to conference venue) The above accomodation prices are room only. Delegates will allocated their choice of room on a first come first served basis. This is the peak season in Cairns and there are extremely heavy demands on accomodation in the city. Delegates are requested to pay a deposit by May 15 to secure accomodation. The above rates are only for conference attendees and their partners and are only available if booked through the registration form. TIMETABLE OF DEADLINES Student bursary applications 30 March Last day for early registration 15 May Submission of abstracts 15 May Last day for cancellations 30 July Opening of conference 27 August ADVICE FOR VISITORS Average temperature in North Queensland in late August is 21 C. Dress is usually light and casual. Hats, sunglasses and 15+ sunscreen are strongly recommended for protection from the sun. A valid passport with visa is required for entry into Australia by all visitors except New Zealanders. A variety of tours are available for accompanying persons. The official language of the conference is English. ---------------------------------------------------------------------------- R E G I S T R A T I O N F O R M 1. DELEGATE NAME AND ADDRESS DETAILS Name ____________________________________________________________________ Surname Title First name Position _________________________________________________________________ Organization ______________________________________________________________ Postal Address ____________________________________________________________ ____________________________________________________________ ____________________________________________________________ State/province Postcode Country Telephone Work __________________________ Home ________________________ Fax __________________________ Email ________________________ Indicate membership MGMS ____ RACI ____ Preferred name for badge ______________________ Surname: __________________ Name of accompanying person (if badge required) ____________________________ Special dietary requirements ________________________________________________ 2. ACCOMODATION REQUIRED __ YES __ NO Please indicate your choice of hotel and room type Cairns Internat Hotel __ Reef Plaza __ Reef Inn __ Uptop Downunder __ $175/room/night $115/room/night $115/room/night $45/room/night Max 2 adults/room except Uptop Downunder which is 4/room Room type SINGLE __ TWIN SHARE __ DOUBLE __ 4 SHARE __ Sharing with (if applicable) ________________________________________________ Arrival date _______ Aug 1995 Estimated arrival time ______________ Number of nights accomodation required _______ Estimated departure date _____ NOTE: Rooms will not be held after 6pm on arrival date unless hotel advised 3. ABSTRACTS I wish to submit and abstract __ YES __ NO I would be prepared to make an oral presentation if selected __ YES __ NO Abstracts for all presentations should be submitted with this registration form 4. DELEGATE REGISTRATION Registration After 15 May MGMS/RACI Members $440 $520 $ ___________ Non-members $520 $600 $ ___________ Students $220 $300 $ ___________ Accomodation deposit (rate for 1 night) $ ___________ Conference dinner (31 August) _____ tickets @ $50 $ ___________ Reef Cruise (30 August) _____ tickets @ $110 $ ___________ (I am/am not interested in an introductory dive/certified dive) Extra tickets for accompanying persons only (free for registrants) Welcoming cocktail party (27 August) ____ tickets @ $25 $ ___________ Tropical BBQ (30 August) ____ tickets @ $25 $ ___________ TOTAL PAYMENT ENCLOSED $ ___________ Please note that registrants after 15 May may not be supplied with satchels and abstract books Payment to be made in Australian dollars by cheque or money order drawn on an Australian bank, PAYABLE TO: "Molecular Design Down Under Conference" and mailed to arrive at the following address by 15 May 1995 Molecular Design Down Under Conference Phone +61 7 369 7866 c/o Organizers Australia Fax +61 7 367 1471 PO Box 1237 MILTON QLD AUSTRALIA 4064 Send email via Ruth Drinkwater, Centre for Drug Design and Development, University of Queensland (R.Drinkwater@mailbox.uq.oz.au) 5. STUDENT REGISTRATION I certify I am currently enrolled as a full-time student at ___________________ _______________________________ for a _________________________ degree course. Signature ________________________ Supervisor's information Name ___________________________________________________ Address ___________________________________________________ ___________________________________________________ Phone _____________________________ Fax ___________________________ Email _____________________________ Supervisor's signature ______________________ The student accomodation to be provided by the RACI will be at "Uptop Downunder" ------------------------------------------------------------------------------- Cheers, Dave Dr. David A. Winkler Voice: 61-3-542-2244 Principal Research Scientist Fax: 61-3-543-8160 CSIRO Division of Chemicals and Polymers CSIRO: http://www.csiro.au Private Bag 10,Rosebank MDC, Clayton, Australia http://www.chem.csiro.au From J.E.Upham@reading.ac.uk Fri May 12 05:35:40 1995 Received: from sums1.rdg.ac.uk for J.E.Upham@reading.ac.uk by www.ccl.net (8.6.10/930601.1506) id FAA27231; Fri, 12 May 1995 05:21:25 -0400 Received: from scsscsc3.rdg.ac.uk by sums1.rdg.ac.uk with SMTP - Local (PP); Fri, 12 May 1995 10:21:02 +0100 Date: Fri, 12 May 1995 10:20:49 +0100 (BST) From: John Upham To: Akinori Hirashima Cc: chemistry@ccl.net Subject: Re: CCL:web for chemistry In-Reply-To: <199505120124.KAA13683@nogakubu.agr.kyushu-u.ac.jp> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 12 May 1995, Akinori Hirashima wrote: > Dear netters: > > I am currently attempting to gather all web or gopher sites > related to chemistry. Please respond to my Email address at > ahirasim@agr.kyushu-u.ac.jp. Hello, Try http://www.chem.rdg.ac.uk/ for the University of Reading, U.K. john upham John Upham, Dept. of Chemistry, University of Reading, Berks., RG6 2AD, UK. Email: scsupham@reading.ac.uk (Internet), scsupham@reading (JANET), WWW URL: http://www.chem.rdg.ac.uk/g50/mmrg/john/john.html Voice: +44 1734 875123 x7451 (day), Fax: +44 1734 311610 TCP/IP talk: talk john@134.225.168.20 From E.WEZENBEEK@elsevier.nl Fri May 12 08:05:43 1995 Received: from relay.surfnet.nl for E.WEZENBEEK@elsevier.nl by www.ccl.net (8.6.10/930601.1506) id HAA28303; Fri, 12 May 1995 07:52:14 -0400 From: X400-Received: by /PRMD=surf/ADMD=400net/C=nl/; Relayed; Fri, 12 May 1995 13:20:34 +0200 X400-Received: by mta relay.surfnet.nl in /PRMD=surf/ADMD=400net/C=nl/; Relayed; Fri, 12 May 1995 13:20:34 +0200 X400-Received: by /PRMD=SURF/ADMD=400NET/C=NL/; converted (ia5-text); Relayed; Fri, 12 May 1995 12:17:07 +0200 Date: Fri, 12 May 1995 12:17:07 +0200 X400-Originator: E.WEZENBEEK@elsevier.nl X400-Recipients: non-disclosure:; X400-MTS-Identifier: [/PRMD=SURF/ADMD=400NET/C=NL/;G0000014F12MAY199513103602] X400-Content-Type: P2-1984 (2) Content-Identifier: THEOCHEM Alternate-Recipient: Allowed Message-ID: To: chemistry@ccl.net Subject: THEOCHEM Dear members of the CCL list, I would like to thank those of you that have already replied to the message I posted yesterday. We will be starting our table of contents service via email in the near future. If you have not yet replied but are interested in this service, please send me your email address and you will then be added to the list. Hopefully this service will result in more electronic additions, and possibly in full electronic delivery of the journal in the future. As I mentioned in my original message, THEOCHEM went through many changes recently. The most important goal we have with the journal is to serve the whole area of computational chemistry, with a new team of Editors (Csizmadia, Dykstra, Hiller and Rivail) who are all very keen to enhance the reputation of the journal. We from our part will ensure that a reduction in publication time to six months is achieved by the end of 1995. With kind regards, Egbert van Wezenbeek ----------------------------------------------------------------- Dr. Egbert M. van Wezenbeek Publishing Editor Elsevier Science BV Chemistry & Chemical Engineering Department P.O. Box 330 1000 AH Amsterdam The Netherlands Phone: (+31-20) 485 2475 e.wezenbeek@elsevier.nl Fax: (+31-20) 485 2845 Elsevier WWW server: http://www.elsevier.nl Elsevier Gopher server: gopher.elsevier.nl ----------------------------------------------------------------- From Eric.Buisine@pasteur-lille.fr Fri May 12 10:05:47 1995 Received: from lilserv.univ-lille1.fr for Eric.Buisine@pasteur-lille.fr by www.ccl.net (8.6.10/930601.1506) id KAA02092; Fri, 12 May 1995 10:04:44 -0400 Received: from calmette.pasteur-lille.fr by lilserv.univ-lille1.fr Fri, 12 May 1995 16:03:34 +0200 Received: by calmette.pasteur-lille.fr Fri, 12 May 1995 15:47:29 +0200 From: "Eric Buisine" Message-Id: <9505121547.ZM22613@calmette> Date: Fri, 12 May 1995 15:47:29 +0000 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@ccl.net Subject: Software for the estimation of logP coefficients Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii I work on a Silicon Graphics workstation (unix), and I need an "academic" software allowing the estimation of partition coefficients (octanol/water logP). How could I obtain this kind of software ? Thanks for your response -- --------------------------------------------------------------------------------- Eric Buisine INSTITUT PASTEUR - Service de Chimie des Biomolecules - URA 1309 CNRS 1, rue du Professeur Calmette 59019 LILLE Tel. : 20 87 73 65 Fax : 20 87 73 77 E-Mail : buisine@pasteur-lille.fr --------------------------------------------------------------------------------- From nxb96@acs.org Fri May 12 10:12:30 1995 Received: from wash24.acs.org for nxb96@acs.org by www.ccl.net (8.6.10/930601.1506) id KAA02022; Fri, 12 May 1995 10:02:53 -0400 Date: Fri, 12 May 95 10:00:10 EST Message-Id: <9505121500.AA29164@acs.org> X-Sender: nxb96@wash24.acs.org X-Mailer: Windows Eudora Version 2.0.3 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: John Upham From: nxb96@acs.org (Nan Butterworth) Subject: Re: CCL:web for chemistry Cc: chemistry@ccl.net Try http://amerchem.acs.org/ for the American Chemical Society's home page. You will have access to all products and services available through the ACS. Enjoy! Nan Butterworth >On Fri, 12 May 1995, Akinori Hirashima wrote: > >> Dear netters: >> >> I am currently attempting to gather all web or gopher sites >> related to chemistry. Please respond to my Email address at >> ahirasim@agr.kyushu-u.ac.jp. > > > Hello, > > Try http://www.chem.rdg.ac.uk/ for the University of Reading, U.K. > > john upham > > >John Upham, Dept. of Chemistry, University of Reading, Berks., RG6 2AD, UK. >Email: scsupham@reading.ac.uk (Internet), scsupham@reading (JANET), >WWW URL: http://www.chem.rdg.ac.uk/g50/mmrg/john/john.html >Voice: +44 1734 875123 x7451 (day), Fax: +44 1734 311610 >TCP/IP talk: talk john@134.225.168.20 > > > >-------This is added Automatically by the Software-------- >-- Original Sender Envelope Address: J.E.Upham@reading.ac.uk >-- Original Sender From: Address: J.E.Upham@reading.ac.uk >CHEMISTRY@ccl.net -- everyone | CHEMISTRY-REQUEST@ccl.net -- coordinator >MAILSERV@ccl.net: HELP CHEMISTRY | Gopher: www.ccl.net 73 >Anon. ftp www.ccl.net | CHEMISTRY-SEARCH@ccl.net -- archive search >http://www.ccl.net/chemistry.html | for info send: HELP SEARCH to MAILSERV > > > From nauss@ucmod2.che.uc.EDU Fri May 12 10:35:46 1995 Received: from ROLL.SAN.UC.EDU for nauss@ucmod2.che.uc.EDU by www.ccl.net (8.6.10/930601.1506) id KAA03037; Fri, 12 May 1995 10:32:20 -0400 Received: from ucmod2.che.uc.edu by UCBEH.SAN.UC.EDU (PMDF V4.3-13 #7238) id <01HQEUZ1AEMO01DLEH@UCBEH.SAN.UC.EDU>; Fri, 12 May 1995 10:31:05 -0500 (EST) Received: by ucmod2.che.uc.edu (920330.SGI/920502.SGI.AUTO) for @uc.edu:CHEMISTRY@ccl.net id AA23400; Fri, 12 May 95 10:35:36 -0400 Date: Fri, 12 May 1995 10:35:36 -0400 From: nauss@ucmod2.che.uc.EDU (Jeffrey L. Nauss) Subject: Transfering files between IBM and SGI To: CHEMISTRY@ccl.net Reply-to: nauss@ucmod2.che.uc.EDU Message-id: <9505121435.AA23400@ucmod2.che.uc.edu> Content-transfer-encoding: 7BIT Please forgive the more computer-type as opposed to a more chemistry-related question. But I am desperate. I am trying to transfer files between an IBM R/S 6000 and an SGI 4D/35 using a 150 MB tape. I will eventually want to transfer data back and forth between the two machines on a regular basis. The IBM workstation is not on a network (and never will be) for some practical reasons I won't go into. The IBM is running AIX 3.2.5 and has an external IBM-brand 1/4 inch 150 MB tape drive. Blocksize has been set to variable length. The SGI is running IRIX 4.0.5 and has an SGI internal 150 MB drive. I have tried using tar and cpio with no success. Checksum and other errors consistantly appear. But I may not have set some variable correctly. Today, I will experimenting with dd but have little experience with the command. If anyone knows how to use a tape between IBM and SGI platforms, I would be very appreciative for any help you can provide. Jeff Nauss **************************************************************************** * UU UU Jeffrey L. Nauss, PhD * * UU UU Director, Molecular Modeling Services * * UU UU Department of Chemistry * * UU UU CCCCCCC University of Cincinnati * * UU UU CCCCCCCC Cincinnati, OH 45221-0172 * * UUUU CC * * CC Telephone: 513-556-0148 Fax: 513-556-9239 * * CC * * CCCCCCCC e-mail: nauss@ucmod2.che.uc.edu * * CCCCCCC http://www.che.uc.edu/~nauss * **************************************************************************** From EWING@jcvaxa.jcu.edu Fri May 12 10:50:51 1995 Received: from jcvaxa for EWING@jcvaxa.jcu.edu by www.ccl.net (8.6.10/930601.1506) id KAA03493; Fri, 12 May 1995 10:48:37 -0400 Received: from jcvaxa.jcu.edu by jcvaxa.jcu.edu (PMDF V4.3-7 #9465) id <01HQEVHDRMKG8Y6EXO@jcvaxa.jcu.edu>; Fri, 12 May 1995 10:48:12 EST Date: Fri, 12 May 1995 10:48:12 -0500 (EST) From: "David W. Ewing (216) 397-4241" Subject: 1995 Morley Symposium and Dinner, honoring Dr. Derek Davenport To: chminf-l@iubvm.ucs.indiana.edu, neomig@charles.polymer.uakron.edu, chemcom@ubvm.cc.buffalo.edu, chemistry@ccl.net Cc: cesamc@rcwpo2.usaclv.msnet.bp.com, brazdijf@rcwpo2.usaclv.msnet.bp.com Message-id: <01HQEVHDUB0I8Y6EXO@jcvaxa.jcu.edu> X-VMS-To: IN%"chminf-l@iubvm.ucs.indiana.edu", IN%"neomig@charles.polymer.uakron.edu", IN%"chemcom@ubvm.cc.buffalo.edu", IN%"chemistry@ccl.net" X-VMS-Cc: JWALSH, CESA, JBRAZDIL,EWING MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT 1995 Morley Medal Program Cleveland Local Section of The American Chemical Society 1995 Morley Medalist: DR. DEREK ALFRED DAVENPORT Wednesday, June 7, 1995 Jardine Room Student Activities Center John Carroll University 1:20 Welcome Dr. Nick R. Baumgartner Dean of the College of Arts and Sciences SYMPOSIUM- "This side idolatry: A Tribute to Linus Pauling" 1:25 Opening Remarks Dr. James A. Walsh, Symposium Chairman 1:30 "Electronegativity From Avogadro to Pauling" Dr. William Jensen, Cincinnati 2:30 "Linus Pauling and Chemical Thought" Dr. Henry Bent, Pittsburgh 3:30 INTERMISSION 3:45 "Writing Pauling's Biography: A Twenty-Year Odyssey" Dr. Robert J. Paradowski, Rochester 4:45 MORLEY MEDAL ADDRESS "Letters to F.J.Allen: A Reflected Portrait of Linus Pauling" Dr. Derek A. Davenport, Purdue 6:00 Social Hour, Faculty Lounge, Administration Building 7:00 Dinner, Faculty Dining Room, Student Activities Center RESERVATIONS to : Lynn Moravcik (216) 586-5619 or ewing@jcvaxa.jcu.edu Deadline is noon, Friday, June 2; $18 ($8 for students) 8:00 Presentation of the Morley Medal Dr. Mark Cesa, Chairman, Cleveland Local Section 8:15 "Ars Longa, Bursa Brevis: Collecting on an Academic Salary" Dr. Derek A. Davenport, 1995 Morley Medalist For more information: Dr. David Ewing (216)397-4241 or ewing@jcvaxa.jcu.edu From SATYAM@vms.cis.pitt.edu Fri May 12 11:20:49 1995 Received: from myriad.cis.pitt.edu for SATYAM@vms.cis.pitt.edu by www.ccl.net (8.6.10/930601.1506) id LAA03997; Fri, 12 May 1995 11:13:48 -0400 From: Received: from vms.cis.pitt.edu by vms.cis.pitt.edu (PMDF V4.3-10 #10002) id <01HQEW6HVYC6AKU9AS@vms.cis.pitt.edu>; Fri, 12 May 1995 11:08:36 -0400 (EDT) Date: Fri, 12 May 1995 11:08:36 -0400 (EDT) Subject: Help with Reviews on RPA and TDA To: chemistry@ccl.net Message-id: <01HQEW6HVYC8AKU9AS@vms.cis.pitt.edu> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear Netters, Please point us to Reviews/Articles on RPA / TDA.. (some we know are Bouman and Jorgensen ) Thanks a lot Satyam [[[[ satyam@vms.cis.pitt.edu ]]]] From SERGEI@ps1515.chemie.uni-marburg.de Fri May 12 12:05:56 1995 Received: from Mailer.Uni-Marburg.DE for SERGEI@ps1515.chemie.uni-marburg.de by www.ccl.net (8.6.10/930601.1506) id MAA05134; Fri, 12 May 1995 12:04:57 -0400 Received: from ps1515.Chemie.Uni-Marburg.DE by Mailer.Uni-Marburg.DE (AIX 3.2/UCB 5.64/20.07.94) id AA135765; Fri, 12 May 1995 17:31:48 +0200 Received: from NWS_CHEMIE/MAILQ by ps1515.chemie.uni-marburg.de (Mercury 1.20); 12 May 95 17:32:20 GMT+2 Received: from MAILQ by NWS_CHEMIE (Mercury 1.20); 12 May 95 17:31:55 GMT+2 To: CHEMISTRY@ccl.net From: "Sergei Vyboishchikov" Date: 12 May 95 17:31:46 MDT Subject: Gear method: summary Priority: normal X-Mailer: Pegasus Mail v2.3 (R5). Message-Id: <24898D33F9B@ps1515.chemie.uni-marburg.de> Dear Netters: Recently I have posted a question concerning Fortran implementations of the Gear method. I would like to express my sincere gratitude to the netters whose responses I received. Some of the replies were very helpful. One of the programs (LSODA) is available, for example, from ftp://ftp.uni-bayreuth.de/mounts/pubdsk2/math/netlib/sodepack The book by Vetterling et al. "Numerical Receipts..." does not contain any Fortran code for Gear method. Here is the summary of the responses (in part shortened): -------------------------------------------------------------------- From: uscgckc3@ibmmail.com Hello Sergei, The QCPE has a very nice pc program set called "GEAR ITERATOR" which is available in Microsoft Fortran. I believe they will even supply the executable. The QCPE number is QCMP022. Regards, Anthony DeBellis Ciba Corp. uscgckc3@ibmmail.com -------------------------------------------------------------------- From: "FREDERICK IGNATZ-HOOVER" Try "gear" from the QCPE at the University of Indiana in Bloomington, In. USA -------------------------------------------------------------------- From: doherty@msc.edu (David C. Doherty) ..... -- On the other hand, you may have some luck poking around at netlib, for instance: http://www.netlib.org/ode/index.html ftp://ftp.netlib.org/ode/index http://www.netlib.org/odepack/index.html ftp://ftp.netlib.org/odepack/index -------------------------------------------------------------------- From: Dave Edelson A reasonable implementation of Gear is found in the IMSL Library, routine IVPAG, which can be switched between Adams-Moulton or Gear. However, it requires the entire library to be implemented, since the routine calls other subroutines from the library. Fortran code for older versions of Gear are found in several places in the literature. D. Edelson College of Engineering Florida A&M/State Universities -------------------------------------------------------------------- From: ars@ari.net (ARSoftware Corporation) Though not fortran, Kinetics for Windows is an easy to use Microsoft Windows based software package for modeling complex chemical reactions and reaction mechanisms. This unique program computes the concentrations of the chemical species in a system as a function of time for multistep reversible reactions, given the reaction mechanism, the forward and reverse rate constants, and the initial concentrations of reactants and products. KINETICS easy to use Windows interface allows you to input complex chemical systems by simply typing in the reaction equations and the associated rate constants. The program automatically formulates the differential equations necessary to describe the kinetics of the chemical system. The rate equations are then numerically integrated using a modified GEAR algorithm. ..... For more information, contact ars@ari.net Sincerely, Sat Want S. Khalsa ARSoftware ===================================================== ARSoftware Corporation 8201 Corporate Drive Landover, MD 20785 Phone: (301) 459-3773 FAX: (301) 459-3776 e-mail: ars@ari.net -------------------------------------------------------------------- From: jcw@biosym.com (Jack Wathey ) Dear Sergei, The program you want is "lsoda" (acronym for Livermore Solver of Ordinary Differential equations: Automatic). It's a robust and highly optimized FORTRAN implementation with automatic integration step size control. Unfortunately I don't remember where it is on the net, but you should be able to find it with Archie or some similar net-searching tool. Best wishes, Jack Wathey Biosym Technologies, Inc. -------------------------------------------------------------------- From: jpool@ccsf.caltech.edu (J.C.T. Pool) Have you looked at Netlib for ODE codes? See http://www.netlib.org/index.html or send a message to netlib.org with the text send index -------------------------------------------------------------------- From: "Dr. Chris L. Waller" Numerical Recipes in Fortran book and program diskette. ==================================================================== Yours, Sergei. From teck.lim@pembroke.oxford.ac.uk Fri May 12 12:52:11 1995 Received: from oxmail2.ox.ac.uk for teck.lim@pembroke.oxford.ac.uk by www.ccl.net (8.6.10/930601.1506) id MAA06278; Fri, 12 May 1995 12:40:41 -0400 Received: from sable.ox.ac.uk by oxmail2.ox.ac.uk. with SMTP (PP) id <18602-0@oxmail2.ox.ac.uk.>; Fri, 12 May 1995 15:47:27 +0100 Received: (from pemb0035@localhost) by sable.ox.ac.uk (1.4/8.6.12) id PAA13067; Fri, 12 May 1995 15:46:58 +0100 Date: Fri, 12 May 1995 15:46:58 +0100 (BST) From: Teck Lim To: chemistry@ccl.net Subject: xdbx for SGI machine In-Reply-To: <9505121500.AA29164@acs.org> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi everyone, Is there a version of xdbx available on SGI to debug C programs? I have checked the Internet and could only locate versions for DEC and SUN. best regards - teck sin From ch11mh@surrey.ac.uk Fri May 12 13:20:49 1995 Received: from maila.surrey.ac.uk for ch11mh@surrey.ac.uk by www.ccl.net (8.6.10/930601.1506) id NAA07394; Fri, 12 May 1995 13:20:05 -0400 Received: from central.surrey.ac.uk by maila.surrey.ac.uk with SMTP (PP); Fri, 12 May 1995 17:49:57 +0100 Received: by central.surrey.ac.uk (1.37.109.8/16.2) id AA29594; Fri, 12 May 1995 17:49:54 +0100 Date: Fri, 12 May 1995 17:49:53 +0100 (BST) From: Mr Martin J Hargreaves To: "Jeffrey L. Nauss" Cc: CHEMISTRY@ccl.net Subject: Re: CCL:Transfering files between IBM and SGI In-Reply-To: <9505121435.AA23400@ucmod2.che.uc.edu> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 12 May 1995, Jeffrey L. Nauss wrote: > I am trying to transfer files between an IBM R/S 6000 and an SGI 4D/35 > using a 150 MB tape. I will eventually want to transfer data back and > forth between the two machines on a regular basis. > I have tried using tar and cpio with no success. Checksum and other > errors consistantly appear. But I may not have set some variable > correctly. > If anyone knows how to use a tape between IBM and SGI platforms, I > would be very appreciative for any help you can provide. I think the SGI has a reverse byte order on tapes... try: $ dd -if /dev/tape_device conv=swab | tar xvf - This is pretty much what I had to do when exchanges QIC-150 tapes between IRIX 4.0.5 and an SVR4.2 system. This is for reading from the tape, you'd need to change the order of the commands to write a "normal" tape from IRIX. Hope this helps, Regards, Martin. ---------------------------------------------------------------- | Martin Hargreaves, ch11mh@surrey.ac.uk| | Undergraduate Computational Chemist | | WWW Server Admin http://www.chem.surrey.ac.uk| ---------------------------------------------------------------- From mn1@helix.nih.gov Fri May 12 15:51:05 1995 Received: from helix.nih.gov for mn1@helix.nih.gov by www.ccl.net (8.6.10/930601.1506) id PAA11269; Fri, 12 May 1995 15:39:52 -0400 Received: by helix.nih.gov (940715.SGI.52/1.35(m-sg-1.0)) id AA26315; Fri, 12 May 95 15:39:37 -0400 Date: Fri, 12 May 95 15:39:37 -0400 From: mn1@helix.nih.gov (M. Nicklaus) Message-Id: <9505121939.AA26315@helix.nih.gov> To: everyone@helix.nih.gov, --@helix.nih.gov, CHEMISTRY@ccl.net Subject: Summary: Personal Structure/Bioassay/Inventory DB's Dear CCL'ers, This is the summary of the responses I received to my question on Personal Structure/Bioassay/Inventory Databases. My question as well as the answers have been slightly edited for the sake of brevity. I have also included short excerpts from a magazine article I was made aware of, and which might be interesting in this context. It appears that there are a number of exciting new developments going on in this field. Thanks to all who responded. Marc C. Nicklaus ====================================================================== QUESTION: ========= (asked on May 4, 1995) We'd like to ask everyone [about] ...personal and project-oriented chemical databases [for] typically ...up to a few hundred or maybe 1000 [compounds]. Such a database (system) would ideally - allow storage and search of 2D chemical structures, numerical data such as bioassay results and inventory data, textual data such as comments and planned steps in a project, reference data such as literature references etc. A really *good* system would allow intelligent handling of semi-quantitative data such as "IC50 > 100uM" for the purposes of queries, sorting etc.; - allow "upward linking", i.e. to molecular modeling (programs).... - allow "downward linking", i.e. to word processing, DTP and similar programs for the purpose of manuscript and presentation preparation. It should at least allow printing of publication-quality output such as tables containing 2D structures etc., but should ideally allow to create, e.g., PostScript files and/or export output to the common word processor formats such as WordPerfect, Word etc. - be available on, and allow seamless data transfer between, the platforms/OS's Unix, PC's (DOS(?) / Windows / OS/2), Mac's; - be easy to install, maintain, and use even for a non-database expert; in particular, the database definition (number, order, name of columns, type of data etc.) should be easily changeable as the project evolves; - be as low-cost as possible, or even an outright public domain program. ====================================================================== ANSWERS: ======== From: "Craig Shelley" Entropy from SoftShell will ship in late May. It is intended for personal or small project databases and fits most of your requirements. The price is $599 business, $399 academic or government, $99 student. It requires our structure drawing programs, ChemIntosh or ChemWindow. - allow storage and search of 2D chemical structures, numerical data.... >>It should satisfy these needs, or at least most of them - it is not entirely clear to me based on this comment. - allow "upward linking", i.e. to molecular modeling (programs).... >> You can save structures as MDL molfiles that can be transferred to many molecular modeling packages. It also supports SCF, a nonproprietary chemistry standard that we are glad to share with others. - allow "horizontal linking", i.e. to other, larger-scale database.... >> It cannot do this in the first release. MDL SDfiles can be imported into Entropy. - allow "downward linking", i.e. to word processing, DTP.... >> Yes. This is what we specialize in. - be available on, and allow seamless data transfer between, the platforms.... >> Available for Windows and Macintosh. The Entropy file format is the same for both platforms. The files can be transferred or placed on servers accessible to both Window and Macintosh computers. - be easy to install, maintain, and use even for a non-database expert.... >> We have tried to make this product simple. We had 400 Entropy beta testers that were very helpful. Entropy excels at creating databases without formatting too. - be as low-cost as possible, or even an outright public domain program. >> It's not free. No matter how simple a database program is, you invest time in creating the data for it. Would you really want an unsupported product that you invest a significant amount of time in? For information on Entropy or our spring catalog of chemistry products, send email to info@softshell.com. Please don't send general information requests to me. Craig Shelley, President SoftShell ---------------------------------------------------------------------- From: James Dill I'm very interested in your posting regarding a personal chemical database. It comes at just the right time, as I am working at Cambridge Scientific Computing (now known as CambridgeSoft) on a new project to develop such a system for Windows. Although it will probably be called ChemFinder, it will have little or nothing in common with our Mac program by that name, in case you have knowledge of that one. I plan to study your list of requirements closely, and will have questions which I hope you are available to answer by e-mail. I'd like to keep abreast of any suggestions you hear from respondents. My main question at the moment is: which system now available comes closest to what you need, and where does it fall short? We're committed to delivering what the community wants. You're invited to help design it. Thanks in advance for your input. -- Jim Dill CambridgeSoft jdd@camsci.com ---------------------------------------------------------------------- From: D.Winkler@chem.csiro.au (Dr. Dave Winkler) We have been doing this in several ways for a few years. The best solution we found is the Tripos Unity/Sybyl database/modelling system. It is available on multiple platforms, allows fast substructure searches which can link easily to data stored in Oracle or Ingress, links transparently to the excellent Sybyl modelling package. There is a new product called Unison which combines all these functions in a very user-friendly manner. I can recommend this approach. Alternatives such as MDL's Isis are too expensive for us (>100K last we heard) although their IsisBase database for PC/Mac may do most of what you want if you have only 1000 or so compounds, don't require a completely integrated solution like Unity/Unison and don't want to spend much. Our system is an SGI Indigo IIxl linked via TCP/IP to a network of Macs. We run Oracle, Sybyl and Unity on the Indigo and connect from the Macs using MacX. As Unison is further developed, we will switch to using this for access, rather than MacX. We also use the Mac clients for the Oracle database server via SQL*Net if purely numeric/text database searches are required. We get around the IC50>100 etc problem by storing two values, the % inhibition and the concentration. For an IC50 of 10 this would involve storing 50 (%) and 10 (micromolar). For the IC50>100 example we would store say 22 (%) or whatever the inhibition was at 100 micromolar, and 100 (micromolar). Dr. David A. Winkler Voice: 61-3-542-2244 Principal Research Scientist Fax: 61-3-543-8160 CSIRO Division of Chemicals and Polymers CSIRO: http://www.csiro.au Private Bag 10,Rosebank MDC, Clayton, Australia http://www.chem.csiro.au ---------------------------------------------------------------------- From: Tom Hagadone <9505051719.A10168@pwinet.upj.com> Regarding your database question; Here at Upjohn we use a chemical structure add-in for Microsoft Access derived from our in-house Cousin system to manage personal, project and departmental chemical databases containing up to about 10,000 structures and their associated data. The add-in supports high quality 2-D structure diagrams, fast full structure, substructure, and similar structure searching, hit list manipulation and most features expected in a full-function chemical database system. Recently, the add-in was compared to ISIS/Base by an independent group within Upjohn and judged to be superior according to the group's judgement criteria. Last week (4/27) I sent a manuscript titled "Capturing Chemical Structure Information in a Relational Database System: The Chemical Software Component Approach" to Bill Milne to be considered for publication in JCICS. As supplementary material to the paper I have included the complete Cousin add-in for Access for publication on the ACS Internet server if the paper is accepted. (...) Tom Hagadone e-mail: trhagado@pwinet.upj.com Information Scientist Phone: (616) 385-7223 Computer-Aided Drug Discovery Fax: (616) 385-8488 The Upjohn Company ---------------------------------------------------------------------- From: mws@tiac.net (Michael Swartz) There are two programs that "sort of" meet the requirements you mention: ChemFinder from Cambridge Scientific Computing and Entropy from SoftShell International. Both programs have minor database and substructure searching functionality. ISIS/Base from MDL currently meets your requirements better than anything else though it is quite expensive. ChemFinder has the advantage of working with Chem3D though it has many irritating information management deficiencies. To get full functioanlity, however, you need a major system. NCI is currently installing our RS3 system - an ORACLE-based structure search system - to manage their structures. (...) Michael Swartz Marketing Director Scientific Information Systems PSI International, Inc. ---------------------------------------------------------------------- >From Chemical Design Automation News, January/February 1995, p. 10-11: "Synopsys Scientific Systems Ltd. has launched its innovative chemical spreadsheet, Accord, for Microsoft Excel, on the Macintosh and Power Macintosh platforms. (...) [It provides] scientists with a full range of chemical facilities to manage, analyze and search chemical structures and associated data within Microsoft's popular spreadsheet environment. (...) [U]sers can store chemical structures and other chemical objects, such as substituents, directly in spreadsheet cells with retained 'chemical awareness'. (...) Standard chemical editors, such as ChemDraw and ISIS/Draw, can be used to enter and modify structures or queries. And chemical data, stored in database systems such as MACCS and ISIS, can easily be imported into an Accord-enabled Excel spreadsheet with retained chemical awareness. Similarly, individual structures or whole chemical data tables can be exported in a variety of standard formats, such as SD, SMD and SMILES. (...) Accord for Excel is compatible with both Microsoft Excel 4.0 or higher and is available for the Microsoft Windows, Macintosh and Power Macintosh platforms at an introductory price of L495 ($695). A 40% discount is available to academics. For further information, contact Dr. Glen Hopkinson or Dr. Paul Hoyle, at Synopsys Scientific Systems Ltd., (...) ++44-113-245-3339; FAX: ++44-113-243-8733; in the US: (609) 734-7431; in Japan: 81-3-3805-6651; e-mail: sales@synopsys.co.uk." ====================================================================== ------------------------------------------------------------------------ Marc C. Nicklaus Lab. of Medicinal Chemistry e-mail: mn1@helix.nih.gov National Cancer Institute, NIH Phone: (301) 402-3111 Bldg 37, Rm 5B29 Fax: (301) 496-5839 BETHESDA, MD 20892-4255 ------------------------------------------------------------------------ From haney@netcom.com Fri May 12 16:20:51 1995 Received: from netcom18.netcom.com for haney@netcom.com by www.ccl.net (8.6.10/930601.1506) id QAA12033; Fri, 12 May 1995 16:16:36 -0400 Received: by netcom18.netcom.com (8.6.12/Netcom) id NAA20983; Fri, 12 May 1995 13:16:14 -0700 From: haney@netcom.com (Dr. David N. Haney) Message-Id: <199505122016.NAA20983@netcom18.netcom.com> Subject: CCL:Transfering files between IBM and SGI To: CHEMISTRY@ccl.net Date: Fri, 12 May 1995 13:16:12 -0700 (PDT) X-Mailer: ELM [version 2.4 PL23] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 827 Jeff Nauss writes: "..I am trying to transfer files between an IBM R/S 6000 and an SGI 4D/35 using a 150 MB tape. I will eventually want to transfer data back and.." A key difference between SGI tar and everyone else's (it seems) tar is that the standard SGI device (/dev/tape) is byte swapped. So if you read an IBM tape on the SGI you must use something to unswap the bytes. Try using /dev/tapens. You might also be able to use this device when writing a tape to be read on the IBM. -- ************** David N. Haney, Ph.D. **************** * Haney Associates Phone - 619-566-1127 * * 12010 Medoc Ln. * * San Diego, CA 92131 Fax - 619-586-1481 * ************** Email - haney@netcom.com *************** From shenkin@still3.chem.columbia.edu Fri May 12 17:20:52 1995 Received: from mailhub.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.6.10/930601.1506) id RAA13199; Fri, 12 May 1995 17:12:45 -0400 Received: from still3.chem.columbia.edu by mailhub.cc.columbia.edu with SMTP id AA20537 (5.65c+CU/IDA-1.4.4/HLK for <@mailhub.cc.columbia.edu:CHEMISTRY@ccl.net>); Fri, 12 May 1995 17:12:44 -0400 Received: by still3.chem.columbia.edu (931110.SGI/930416.SGI.AUTO) for @mailhub.cc.columbia.edu:CHEMISTRY@ccl.net id AA01523; Fri, 12 May 95 17:12:42 -0400 From: "Peter Shenkin" Message-Id: <9505121712.ZM1521@still3.chem.columbia.edu> Date: Fri, 12 May 1995 17:12:40 -0400 In-Reply-To: haney@netcom.com (Dr. David N. Haney) "CCL:Transfering files between IBM and SGI" (May 12, 1:16pm) References: <199505122016.NAA20983@netcom18.netcom.com> X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: haney@netcom.com (Dr. David N. Haney), CHEMISTRY@ccl.net Subject: Re: CCL:Transfering files between IBM and SGI Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 On May 12, 1:16pm, Dr. David N. Haney wrote: > Subject: CCL:Transfering files between IBM and SGI > Jeff Nauss writes: > > "..I am trying to transfer files between an IBM R/S 6000 and an SGI 4D/35 > using a 150 MB tape. I will eventually want to transfer data back and.." > > A key difference between SGI tar and everyone else's (it seems) tar is that > the standard SGI device (/dev/tape) is byte swapped. No; this is only if /dev/tape is a QIC drive, as Jeff's indeed is. But if /dev/tape is anything else, such as DAT, SGI's tar doesn't swap bytes. To be precise (and after all, we are scientists, aren't we?), SGI's tar has never swapped bytes; but their QIC controller always has, and still does, in the name of back-compatibility. So unless you, like Jeff, have a QIC (cartridge) drive, you can forget this whole business. -P. -- ************************ The secret of life: ************************* *Peter S. Shenkin, Box 768 Havemeyer Hall, Chemistry, Columbia Univ.,* * New York, NY 10027; shenkin@columbia.edu; (212) 854-5143 * ************* If you find a loose thread, don't pull it. ************* From bob_kern@prenhall.com Fri May 12 18:05:51 1995 Received: from prenhall.com for bob_kern@prenhall.com by www.ccl.net (8.6.10/930601.1506) id RAA13880; Fri, 12 May 1995 17:50:59 -0400 Received: from SMTP-Gate.prenhall.com ([192.234.246.82]) by prenhall.com (4.1/SMI-4.1) id AA20559; Fri, 12 May 95 17:50:35 EDT Received: from ccMail by SMTP-Gate.prenhall.com (SMTPLINK V2.10.03) id AA800326659; Fri, 12 May 95 17:38:36 EST Date: Fri, 12 May 95 17:38:36 EST From: "Bob Kern" Message-Id: <9504128003.AA800326659@SMTP-Gate.prenhall.com> To: chemistry@ccl.net Subject: Chemistry animation work available Prentice Hall (college publishing division of Simon & Schuster) is revising its intro and general chemistry textbooks and looking for an animator to create high end animations (as one would get off SGI machines using Topaz) of select reactions and compounds. The animator would be provided with a detailed storyboard. Please direct inquires to bob_kern@prenhall.com Thanks -bob Robert Kern Senior Product Manager, Multimedia Group Prentice Hall " " 0 0 "" \----/ From gerard@scripps.edu Fri May 12 20:50:56 1995 Received: from scripps.edu for gerard@scripps.edu by www.ccl.net (8.6.10/930601.1506) id UAA16220; Fri, 12 May 1995 20:40:33 -0400 Received: from voodoo.scripps.edu by scripps.edu (5.61/1.34) id AA16109; Fri, 12 May 95 17:40:30 -0700 Received: by voodoo (931110.SGI/930416.SGI.AUTO) for chemistry@ccl.net id AA25345; Fri, 12 May 95 17:41:01 -0700 Date: Fri, 12 May 95 17:41:01 -0700 From: gerard@scripps.edu (Gerard Jensen) Message-Id: <9505130041.AA25345@voodoo> To: chemistry@ccl.net Subject: PC based molecular modeling CCLers. Recently there was a post asking about PC based molecular modeling. This latter did not specify the type of molecules in question but this may be of interest generally: There is a relatively new program for looking at protein structures called MolW. It is inexpensive, and can do many of the things that more expensive modeling software can do (e.g. CPKs, making color slides, etc.). Here is the relevant info: ********************************** Molecular Images 4541 Hidalgo Ave San Diego, CA 92117 Tel/FAX (619)483-2051 email: MISoftware@aol.com Molecular Images is $295, $195 academic (+ tax (if CA) + $5 shipping and handling) P.O.s accepted (Molecular Images = MolW) ********************************** GM Jensen P.S. All the usual disclaimers this has nothing to do with Scripps or me personally or yada yada yada..... ----------------------------------------------------------------------------- | Gerard M. Jensen, Ph.D. _________ | | | gerard@scripps.edu | _____ | | | Department of Molecular Biology, MB-8 | | | _ | | | | The Scripps Research Institute | Tel: + (619) 554-4325 | | |_| | | | | 10666 North Torrey Pines Road | Fax: + (619) 554-6188 | |_____| | | | La Jolla, CA 92037, U.S.A. | |_________| | | | | ----------------------------------------- ------------------------------------