From chemistry-request@ccl.net Thu Mar 26 10:20:21 1992 Date: Thu, 26 Mar 92 09:06 EST From: PCJ@PSUVM.PSU.EDU Subject: Re: New Journal of Molecular Modeling To: GWA@CU.NIH.GOV Status: R Re new journal of molecular modelling....... there is already a lot of competition, but from private publishers. If ACS could take away some of the papers in a society-sponsored journal that would be good. Peter Jurs From EDELSON@EVAX12.ENG.FSU.EDU Thu Mar 26 10:38:01 1992 Date: Thu, 26 Mar 1992 10:39:46 -0500 (EST) From: EDELSON@EVAX12.ENG.FSU.EDU (Dave Edelson) Subject: Re: New Journal of Molecular Modeling To: chemistry-request@ccl.net Status: R I do not see a need for this, especially since University libraries are being pressed hard to maintain their current subscriptions without asking them to look into new ones. There are enough journals to publish in this field without additional competition. Do you know about the Journal of Computer Aided Molecular Design (ESCOM)? I have an old copy, is it still functioning? From chemistry-request@ccl.net Thu Mar 26 12:40:21 1992 Date: Thu, 26 Mar 92 11:03:54 EST From: shenkin@avogadro.barnard.columbia.EDU (Peter S. Shenkin) Subject: Re: New Journal of Molecular Modeling To: PCJ@PSUVM.PSU.EDU, GWA@CU.NIH.GOV Status: R > Re new journal of molecular modelling....... > there is already a lot of competition, but from > private publishers. If ACS could take away some of > the papers in a society-sponsored journal that would > be good. Why? -P. ************************f*u*cn*rd*ths*u*cn*gt*a*gd*jb************************* Peter S. Shenkin, Department of Chemistry, Barnard College, New York, NY 10027 (212)854-1418 shenkin@avogadro.barnard.columbia.edu shenkin@cunixf.BITNET ********** "I've got algorithm -- who could ask for anything more?" ********** From jkl@ccl.net Thu Mar 26 13:28:30 1992 Date: Thu, 26 Mar 1992 13:28:14 -0500 From: jkl@ccl.net To: chemistry@ccl.net Subject: Book on ONLINE INFORMATION HUNTING Status: R Forwarding an abbreviated annoucement (< 15 lines) about a book which might be of general interest. Answers to: Nahum Goldmann, ---------- Begin Forwarded Message ---------- == Sender: Nahum Goldmann (N.) (-- stuff deleted --) ONLINE INFORMATION HUNTING, by Nahum Goldmann. This book (McGraw-Hill/Windcrest ISBN 0-8306-3945-4, tel. 1-800-233-1128, price Paper $17.95, Hard $29.95) is amongst a limited number of publications on computerized information retrieval specifically addressed to the end-user. The book describes what kind of information is available online, how to search for it, and how to use it to your professional advantage. Also included is a brief introductory section on academic e-mail networks. The book outlines the SUBJECT EXPERT SEARCHING TECHNIQUE - a new methodology for online information gathering. This efficient research method is especially tailored for the end-users of information who are working in rapidly developing scientific areas, and can be used as a means of professional survival in rapidly changing scientific and professional areas. (-- stuff deleted --) ----------- End Forwarded Message ----------- From jkl@ccl.net Thu Mar 26 15:02:22 1992 Date: Thu, 26 Mar 1992 15:02:17 -0500 From: jkl@ccl.net To: chemistry@ccl.net Subject: Comp.Chem.Archives Status: R The archives of Computational Chemistry List are available again. We hope that the power supply was fixed and www.ccl.net is alive for quite a while. So you can start using OSCPOST@ccl.net and anonymous ftp on kekule@.ccl.net [128.146.36.48]. To find out how to access the archives send one line message: send help from chemistry to OSCPOST@ccl.net and the information will be automatically forwarded to you. Yours, Jan jkl@ccl.net From chemistry-request@ccl.net Thu Mar 26 16:13:26 1992 Date: Thu, 26 Mar 92 14:55:05 EST From: rs0thp@rohmhaas.COM (Dr. Tom Pierce) Subject: Re: Comp. Journal To: chemistry@ccl.net Status: R > > Subject: Re: New Journal of Molecular Modeling RE:> > There is a proposal before the ACS to begin a Journal of > Molecular Modeling..... > Good idea? Bad idea? No need? > Bill Milne I have long thought that the ACS has overlooked Computational Chemistry, and I have been interested in an ACS Journal for this work. However, I think that much of the current needs are satified by J. Comp. Chem., J. Mol. Graphics. There is still a need for distributing information that is not yet adequately satisfied. In specific, an electronic distribution of MD movies, Chemical Images, and chemical system simulations would help us understand each others work and could speed the acceptance of computational chemistry in the chemical community. This media does yet yet exist. Postscript on the InterNet is not adequate for images and movies. Perhaps with the bigger memory floppy disks (2MB-100MB), distribution of a multimedia (sorry for the buzzword) journal would be possible. With all the hype from computer vendors, perhaps multimedia is 'almost' available. I think this approach should be investigated by the ACS Journals Division, and perhaps we might all benefit. -- Sincerely, Thomas Pierce, rs0thp@rohmhaas.com or rs0thp@rohvm1 Official Disclaimer:"The opinions expressed are those of the writer and not the Rohm and Haas Company." From chemistry-request@ccl.net Thu Mar 26 17:58:47 1992 Date: Thu, 26 Mar 1992 16:38:39 -0500 From: zheng@retina.chem.psu.EDU (Ya-Jun Zheng) To: jkl@MPS.OHIO-STATE.EDU Status: R I would appreciate any information about 1,3 proton transfer barriers in carboxylic acids and related compounds. Please respond to me directly. Ya-Jun Zheng From chemistry-request@ccl.net Thu Mar 26 17:59:08 1992 Date: Thu, 26 Mar 92 15:40:13 CST From: doherty@msc.EDU (David C. Doherty) Subject: Re: Comp. Journal To: rs0thp@rohmhaas.COM (Dr. Tom Pierce) Status: R >I have long thought that the ACS has overlooked Computational Chemistry, >and I have been interested in an ACS Journal for this work. However, >I think that much of the current needs are satified by J. Comp. Chem., >J. Mol. Graphics. There is still a need for distributing information >that is not yet adequately satisfied. In specific, an electronic >distribution of MD movies, Chemical Images, and >chemical system simulations would help us understand each others work and >could speed the acceptance of computational chemistry in the >chemical community. This media does yet yet exist. Postscript on the >InterNet is not adequate for images and movies. Perhaps with >the bigger memory floppy disks (2MB-100MB), distribution of >a multimedia (sorry for the buzzword) journal would be possible. >With all the hype from computer vendors, perhaps multimedia is 'almost' >available. > >I think this approach should be investigated by the ACS Journals Division, >and perhaps we might all benefit. >-- >Sincerely, Thomas Pierce, Tom makes some very good points - J. Comp Chem. and J. Mol Graphics (and others) probably serve our purposes just fine. Further, I'd like to suggest that perhaps Apple's QuickTime format might be a viable medium for distributing movies, etc. The format is available from Apple, and perhaps we could encourage the computational chemistry software vendors to output to this format. Then we could mail (ftp) movies across the net. These files can be viewed by any PICT aware application on the mac, and perhaps some clever X-programmer will soon write an X11 quicktime application so that we can view these things on an X-server. cheers, -- David C. Doherty Minnesota Supercomputer Center doherty@msc.edu From chemistry-request@ccl.net Thu Mar 26 17:59:08 1992 Date: Thu, 26 Mar 92 15:40:13 CST From: doherty@msc.EDU (David C. Doherty) Subject: Re: Comp. Journal To: rs0thp@rohmhaas.COM (Dr. Tom Pierce) Status: R >I have long thought that the ACS has overlooked Computational Chemistry, >and I have been interested in an ACS Journal for this work. However, >I think that much of the current needs are satified by J. Comp. Chem., >J. Mol. Graphics. There is still a need for distributing information >that is not yet adequately satisfied. In specific, an electronic >distribution of MD movies, Chemical Images, and >chemical system simulations would help us understand each others work and >could speed the acceptance of computational chemistry in the >chemical community. This media does yet yet exist. Postscript on the >InterNet is not adequate for images and movies. Perhaps with >the bigger memory floppy disks (2MB-100MB), distribution of >a multimedia (sorry for the buzzword) journal would be possible. >With all the hype from computer vendors, perhaps multimedia is 'almost' >available. > >I think this approach should be investigated by the ACS Journals Division, >and perhaps we might all benefit. >-- >Sincerely, Thomas Pierce, Tom makes some very good points - J. Comp Chem. and J. Mol Graphics (and others) probably serve our purposes just fine. Further, I'd like to suggest that perhaps Apple's QuickTime format might be a viable medium for distributing movies, etc. The format is available from Apple, and perhaps we could encourage the computational chemistry software vendors to output to this format. Then we could mail (ftp) movies across the net. These files can be viewed by any PICT aware application on the mac, and perhaps some clever X-programmer will soon write an X11 quicktime application so that we can view these things on an X-server. cheers, -- David C. Doherty Minnesota Supercomputer Center doherty@msc.edu From chemistry-request@ccl.net Thu Mar 26 21:09:26 1992 Date: Thu, 26 Mar 92 19:56:24 -0500 From: radomski@mond1.ccrc.uga.EDU Subject: Re: MD movies To: chemistry@ccl.net Status: R David C. Doherty wrote: >I'd like to suggest that perhaps Apple's QuickTime format might >be a viable medium for distributing movies, etc. The format is >available from Apple, and perhaps we could encourage the >computational chemistry software vendors to output to this format. >Then we could mail (ftp) movies across the net. These files can >be viewed by any PICT aware application on the mac, and perhaps >some clever X-programmer will soon write an X11 quicktime >application so that we can view these things on an X-server. Some time ago on this list Todd Wipke of UCSC, , announced package, written exactly for a purpose of displaying and sharing e-mailable MD movies, called MAGIC. As I was among the alpha testers of this software, I've used it rather intensively, and I was stunned by the ease of use and quality of display even on the low end PC-DOS machines. Since then [mid 91'] they probably developed ports for most available platforms [Mac version was available together with a DOS one]. Anyway, whatever the common format might be, it ought to include low end platforms like the PCs and Macs enabling High School students to use them at their ease. Regards, Jan P. Radomski