From ragno@serifos.caspur.it Thu Apr 11 04:45:54 1996 Received: from serifos.caspur.it for ragno@serifos.caspur.it by www.ccl.net (8.7.1/950822.1) id EAA16254; Thu, 11 Apr 1996 04:04:53 -0400 (EDT) Received: by serifos.caspur.it; id AA03643; Thu, 11 Apr 1996 10:04:45 +0200 Date: Thu, 11 Apr 1996 10:04:45 +0200 (MET DST) From: Gianluca Sbardella To: chemistry@www.ccl.net Subject: Watch Out For Virus! (fwd) Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII PLEASE READ THE FOLLOWING MESSAGES!!!!! ***************************************************************** * * * Dr. Gianluca Sbardella E-mail: ragno@kea.caspur.it * * Dip. Studi Farmaceutici ragno@serifos.caspur.it * * Universita' "La Sapienza" Phone: 39-6-49913814 * * P.le A. Moro, 5 Fax: 39-6-491491 * * 00185 Roma * * ITALY * ***************************************************************** ---------- Forwarded message ---------- Date: Wed, 10 Apr 1996 12:36:00 -0500 (CDT) From: Rino Ragno To: Gianluca Sbardella Cc: caspur.it@ibc.wustl.edu Subject: Watch Out For Virus! (fwd) <><><><><><><><><><><><><><><><><><><><><><><><><>><><><><><><><><><><><><><><> /\ /\ \/ \/ [] Dr. Rino Ragno E-mail: ragno@kea.caspur.it [] /\ Dip. di Studi di Chimica e Tecnologia or: ragno@axcasp.caspur.it /\ \/ delle Sostanze Biologicamente Attive tel.: 39 6 49913814 \/ [] Universita' degli Studi di Roma FAX: 39 6 49913888 [] [] "La Sapienza" [] /\ Piazzale Aldo Moro, 5 /\ \/ 00185 - ROMA \/ [] I T A L I A [] /\ /\ \/ \/ <><><><><><><><><><><><><><><><><><><><><><><><><>><><><><><><><><><><><><><><> || || \||/ \||/ \/ \/ *************************************************************************** | \ /| | \ N.B. fino al 1 marzo 1997 rivolgersi al seguente indirizzo grazie / | | / (please mail to the following address untill the 1st of March) \ | | / \| *************************************************************************** || || \||/ \||/ \/ \/ ++---------------------------------------------------------------------------++ ++---------------------------------------------------------------------------++ || || || Dr. Rino Ragno E-mail: rino@wucmd.wustl.edu || || Institute for Biomedical Computing or: rino@ibc.wustl.edu || || Center for Molecular Design Phone : 314-362-2273 || || Box 8036, Washington University FAX : 314-362-0234 || || 700 South Euclid Avenue || || St. Louis, Missouri 63110 || || U. S. A. || || || ++---------------------------------------------------------------------------++ ++---------------------------------------------------------------------------++ ---------- Forwarded message ---------- Date: Wed, 10 Apr 1996 10:44:07 -0500 (CDT) From: Dave Lowis To: Centre for Molecular design , Garland Marshall , Gregory Nikiforovich , Rino Ragno , Stanslav Galaktionov , Yasuo Takeuchi Subject: Watch Out For Virus! (fwd) Vi mando questo messaggio leggetelo con attenzione!! ---------------- Forwarded Message ------------------------ > > > SUBJECT: VIRUSES--IMPORTANT PLEASE READ IMMEDIATELY > > There is a computer virus that is being sent across the > Internet. If you receive an e-mail message with the subject > line "Good Times", DO NOT read the message, DELETE it > immediately. Please read the messages below. Some miscreant > is sending e-mail under the title "Good Times" nation wide, > if you get anything like this, DON'T DOWN LOAD THE FILE! It > has a virus that rewrites your hard drive, obliterating > anything on it. Please be careful and forward this mail to > anyone you care about. >******************************************************** > WARNING!!!!!!! INTERNET VIRUS > The FCC released a warning last Wednesday concerning a > matter of major importance to any regular user of the > Internet. Apparently a new computer virus has been > engineered by a user of AMERICA ON LINE that is unparalleled > in its destructive capability. Other more well-known viruses > such as "Stoned", "Airwolf" and "Michaelangelo" pale in > comparison to the prospects of this newest creation by a > warped mentality. What makes this virus so terrifying, said > the FCC, is the fact that no program needs to be exchanged > for a new computer to be infected. It can be spread through > the existing e-mail systems of the Internet. Once a Computer > is infected, one of several things can happen. If the > computer contains a hard drive, that will most likely be > destroyed. If the program is not stopped, the computer's > processor will be placed in an nth-complexity infinite binary > loop -which can severely damage the processor if left running > that way too long. > Unfortunately, most novice computer users will not > realize what is happening until it is far too late. Luckily, > there is one sure means of detecting what is now known as the > "Good Times" virus. It always travels to new computers the > same way in a text email message with the subject line > reading "Good Times". Avoiding infection is easy once the > file has been received- not reading it! The act of loading > the file into the mail server's ASCII buffer causes the "Good > Times" mainline program to initialize and execute. > The program is highly intelligent- it will send copies of > itself to everyone whose e-mail address is contained in a > receive-mail file or a sent-mail file, if it can find one. It > will then proceed to trash the computer it is running on. The > bottom line here is - if you receive a file with the subject > line "Good Times", delete it immediately! Do not read it" > Rest assured that whoever's name was on the "From" line was > surely struck by the virus. Warn your friends and local > system users of this newest threat to the Internet! > FCC CEO. > >--------------------------------------------------------------------------- >----- >---- >Ply Samudavnija PPPP P Y Y Phone:- 61 7 55 955361 >North Tower#361 P P P Y Y Mobile:- 0419 443399 >University Drive PPPP P Y >Robina Queensland 4220 P P Y >Australia. P PPPPP Y > > E-mail:- ply-man@rip.it.bond.edu.au > E-mail:- zz_ply-man_samudavanija@macmail.bond.edu.au > > > > > > > >---------------------------------------------------------------------------- >To remove yourself from this list send a message containing only the word >unsubscribe to announce-request@Bond.edu.au > > > >---- End Forwarded Message ----> > > > > > > _/ _/ _/_/_/_/_/ _/_/_/ _/ _/ _/_/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/_/ _/ _/ _/ _/ _/ _/ _/ _/ _/_/ _/ _/ _/ _/ _/ _/ _/_/_/_/_/ _/_/_/ _/ _/ From mcblimts@leonis.nus.sg Thu Apr 11 19:46:02 1996 Received: from sable.nus.sg for mcblimts@leonis.nus.sg by www.ccl.net (8.7.1/950822.1) id TAA29122; Thu, 11 Apr 1996 19:08:25 -0400 (EDT) Received: from leonis.nus.sg (root@leonis.nus.sg [137.132.1.18]) by sable.nus.sg (8.6.10/8.6.9) with ESMTP id HAA17543 for ; Fri, 12 Apr 1996 07:08:24 +0800 Received: from @leonis.nus.sg ([137.132.42.122]) by leonis.nus.sg (8.6.10/8.6.9/CNS-3.5) with SMTP id HAA00607; Fri, 12 Apr 1996 07:08:23 +0800 Date: Fri, 12 Apr 1996 07:08:23 +0800 Message-Id: <199604112308.HAA00607@leonis.nus.sg> X-Sender: mcblimts@leonis.nus.sg X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: Lim Teck Sin Subject: Modelling software evaluation Cc: mcbgane@leonis.nus.sg Hi, Here's the summary of replies to my query of modelling software evaluation. Many thanks to those who have commented. best regards - teck sin >Date: Mon, 01 Apr 1996 10:54:56 >To: chemistry@www.ccl.net >From: Lim Teck Sin >Subject: Modelling software evaluation >Cc: ganesan > >Hi, > > We are currently looking into a number of software for small molecules modelling, QSAR studies, drug design and combinatorial purposes. We have narrowed down our search to just 2 packages from Biosym and Tripos (have we missed other better packages elsewhere?). Presently, we are hoping to contact users who have experiences with both packages. We would appreciate it very much if they could inform us about the strength and weakness of these packages. > We will compile a summary of the replies upon request. > Thanks! > >best regards - lim > ---------------------------------------------------------------------------- -----------------------------------------Start of Summary Date: Wed, 3 Apr 1996 14:12:35 +0100 From: peon@medchem.dfh.dk (Per-Ola Norrby) Dear Lim, We have very recently published a study comparing the calculation of conformational energies with different packages. The Biosym force fields were included, and the Tripos force field can be found in a very similar, earlier study. The references are: Gundertofte, Liljefors, Norrby, Pettersson, J.Comp.Chem. 17, 429 (1996) Gundertofte, Palm, Pettersson, Stamvik, J.Comp.Chem. 12, 200 (1991) A review containing a consistent comparison of the two force fields, based on these two papers, will appear in "Reviews in computational chemistry", but I don't know when. In short, you get better energies out of CFF91 than the Tripos force field. For really accurate energetic work on small molecules, I'd get MacroModel 5.5 (now in beta), but you can't find the other stuff you wanted there, at least not all of it. You should also look into Cerius2 from MSI, especially since Biosym doesn't exist anymore :-). It has the tools you need, and you get very good energetics from MMFF in the package. Best Regards, * Per-Ola Norrby * The Royal Danish School of Pharmacy, Dept. of Med. Chem. * Universitetsparken 2, DK 2100 Copenhagen, Denmark * tel. +45-35376777-506, +45-35370850 fax +45-35372209 * Internet: peon@medchem.dfh.dk, http://compchem.dfh.dk/ ---------------------------------------------------------------------------- ----------------------------------------- From: "Wayne Huang" Date: Wed, 3 Apr 1996 11:02:01 -0800 Yes! I think you do miss one - Spartan & MacSpartan and PCSpartan. Check our web http://www.wavefun.com or sales@wavefun.com for info. --Wayne | Wayne Huang, Ph.D. | 18401 Von Karman, Suite 370 | | Computational Chemist | Irvine, California 92715 | | Wavefunction, Inc. | (714)955-2120 Fax: (714)955-2118 | | huang@wavefun.com | World Wide Web: http://wavefun.com | ---------------------------------------------------------------------------- ----------------------------------------- Date: Wed, 3 Apr 1996 16:13:01 -0600 From: litai_zhang@fmc.com (LITAI ZHANG) Hi, You may contact Chemical Design at 201-529-3323 for their packages. I would appreciate if you can send me a summary of the replies. Thanks, Litai ---------------------------------------------------------------------------- ----------------------------------------- Date: Wed, 3 Apr 96 18:25:28 -0500 From: carol@still3.chem.columbia.edu (Carol Parish) Hello, I was wondering if you had demo'd MacroModel in your modeling software quest. A good reveiw of molecular modeling force fields can be found in the latest issue of the Journal of Computational Chemistry, (17)429 1996. MacroModel was one of the packages they investigated, along with the Alchemy and Cerius packages. MacroModel has a very intuitive graphical user interface and leading edge simulation methodologies. If you'd like more information, I would be happy to send it to you. Just drop me a line at carol@still3.chem.columbia.edu Best Regards, Carol Carol Parish Ph.D. carol@still3.chem.columbia.edu Department of Chemistry (718) 981-7875 voice Columbia University (718) 981-3559 fax New York, NY 10027 ---------------------------------------------------------------------------- ----------------------------------------- Annonymous source: (as requested) Firstly, you should realize that biosym doesn't exist any more...it was bought out by MSI last year. MSI has had it's own QSAR program, catalyst, and there is strong question as to whether they will want to continue with two seperate QSAR programs. If you look at their web page software products, http://www.biosym.com:80/marketing/life/ls_software.html you will only find catalyst listed. Secondly, Comfa from Tripos has a great deal more published using it and a much larger user community to whom you can ask questions. Thirdly, Apex is licensed from an Israeli company. Take a look at their web page: http://www.dcl.co.il/apex3d.html so development is not necessarily in the hands of MSI. ---------------------------------------------------------------------------- ----------------------------------------- Date: Thu, 4 Apr 96 15:07 EST X-Sender: howardp@syrres.com If you need any basic physical properties, such as octanol/water partition coefficient, for QSAR studies, you might be interested in our estimation software http://esc.syrres.com You can estimate Log Kow values using the on-line demo. Philip H. Howard Phone: 315-426-3350 Environmental Sciences Center Fax: 315-426-3429 Syracuse Research Corporation Email: howardp@syrres.com Merrill Lane http://esc.syrres.com Syracuse, NY 13210 ---------------------------------------------------------------------------- ----------------------------------------- From: Date: Thu, 4 Apr 1996 10:15:34 -0500 Hello CCL: I am sending this letter in reference to your request on information about small molecule modeling software. We have the bset software for QSAR, small molecule modeling and macromodeling. Please go through our web site www.am-tech.com for information about our products. If you need further assistance, we will be glad to provide to you. Thank you AM Technologies Inc. ---------------------------------------------------------------------------- -----------------------------------------the end