From chemistry-request@ccl.net Wed Oct 2 09:59:29 1991 Date: Wed, 2 Oct 91 14:37:40 +0100 From: bio320@cvx12.inet.dkfz-heidelberg.de (Friedrich Rippmann) To: chemistry@ccl.net Subject: slide making device / SYBYL, WHATIF user group Status: R A couple of questions to you, dear netter... - We are looking for a good slide making device which can be linked to a PS390 and/or E&S workstation. What can you recommend? Where to get it? Approx. price? - Does somebody know how to subscribe to the SYBYL user group? - Is there a WHAT IF user group? Sorry to steal your time, but I would be very happy to get some information. Friedrich Rippmann, Darmstadt, Germany From jkl@ccl.net Wed Oct 2 10:57:42 1991 Date: Wed, 2 Oct 91 10:57:37 -0400 From: jkl@ccl.net To: chemistry@ccl.net Subject: RE: slide making device / SYBYL, WHATIF user group Status: R Forwarding... ---------- Begin Forwarded Message ---------- >From dmschn@bb1t.monsanto.com Wed Oct 2 10:32:53 1991 Date: Wed, 2 Oct 91 09:33:13 -0500 From: dmschn@bb1t.monsanto.com To: "chemistry-request@ccl.net"@TIN.monsanto.com Subject: RE: slide making device / SYBYL, WHATIF user group Status: R the e-mail address for the SYBYL User Group is: sybylreq@quant.chem.rpi.edu. Dora Schnur dmschn@bb1t.monsanto.com ----------- End Forwarded Message ----------- From chemistry-request@ccl.net Wed Oct 2 11:25:21 1991 Date: Wed, 2 Oct 91 11:10:00 EDT From: Michael Sennett To: chemistry%ccl.net@mitvma.mit.edu Subject: Slide making devices Status: R Message in reply to Friedrich Rippmann While I cannot recommend any slide maker for the ps390 in a positive sense, I can warn you to avoid the FOCUS Imagecorder from Focus Graphics, Inc., CA. This machine performs poorly for us on the PS390. Based on our experience, the best method for reproduction from the PS390 is still a high quality, tripod-mounted camera aimed at the screen in a darkened room. From my discussions with others on this issue, I'll bet this will be the general consensus. Good luck. Michael Sennett From chemistry-request@ccl.net Wed Oct 2 11:37:20 1991 Date: Wed, 2 Oct 91 11:18:57 EDT From: Michael Sennett To: chemistry%ccl.net@mitvma.mit.edu Subject: Accelerator boards Status: R For the benefit of Martin Norin and others: one such product is the Nemonix CPU Accelerator. For the VAXstation 3100/microVAX 3100 they claim a 40 - 60% enhancement in performance. For information: Nemonix Inc. 106 South Street Hopkinton, Massachusetts 01748 (800) 435-8650 FAX (508) 435-6127 This is not an endorsement. I've never seen it work. From chemistry-request@ccl.net Wed Oct 2 12:30:07 1991 From: breneman@quant.chem.rpi.edu Date: Wed, 2 Oct 91 12:00:12 EDT Status: R Netters, In answer to Friedrich Rippmann's inquiry about the SYBYL User's Group BBS, I would like to make it known to all interested parties that you can become a member of this BBS by sending a message requesting membership to sybylreq@quant.chem.rpi.edu, or to breneman@quant.chem.rpi.edu. Curt Breneman breneman@quant.chem.rpi.edu From chemistry-request@ccl.net Wed Oct 2 12:32:21 1991 Date: Wed, 02 Oct 1991 09:14:20 PDT From: "W. Todd Wipke" To: chemistry@ccl.net Subject: Slide making Status: R This is a good topic. I would like to hear the recommendation of others good or bad about making slides from Sun, SGI, PC, Mac, Vaxstation. We are looking for a common solution, preferrably one that serves all. I am impressed by the new Polaroid CI5000 which has parallel port for PC and SCSI interface, both of which are active at the same time. Anybody have experience with it? Then the software: Aldus Persuasion and Microsoft Powerpoint seem to serve the PC under windows and the Mac well and offer users the ability to use either with the same menus and operation. But what do you use on the Vaxstation, Decstation, Sun, and Iris? Anybody run Persuasion or Powerpoint under Soft PC emulator on any of these workstations? Please answer to the list, not to me directly--everyone is interested in this topic. --Todd Wipke wipke@chemistry.ucsc.edu From martin@biokth.sunet.se Wed Oct 2 12:38:15 1991 Date: Wed, 2 Oct 91 17:30:26 +0100 From: martin@biokth.sunet.se (Martin Norin, Dept. Biochem., Royal Inst. Technol., Stockholm, tel. +46-8-7907512, e-mail; martin@physchem.kth.se) To: "chemistry-request@ccl.net"@kth.sunet.se Subject: RE: slide making device / SYBYL, WHATIF user group Status: R SYBYL has an e-mail BULLENTIN BOARD: BBS. To become a member write an e-mail to "sybylreq@quant.chem.rpi.edu" inculding a line of a request to become a member of the SYBYL BBS. Iclude also your e-mail adress. I know that there is a German SYBYL User Group, but I do not know how to get in touch with them. Anyhow I think that you may request this info also by a e-mail to the same adress as above. Greetings, Martin Norin Dept. Biochem KTH Stockholm e-mail: martin@physchem.kth.se From chemistry-request@ccl.net Wed Oct 2 16:38:57 1991 Date: 2-OCT-1991 16:28:26.62 From: WSONNEN@EAGLE.WESLEYAN.EDU Subject: water potentials To: chemistry@ccl.net Status: R About three weeks ago I posted a question regarding models (for use in MD, MC, etc.) that incorporate water polarization. Unfortunately, at the present time, there does not exist a model that can reproduce solvent/solute physical properties. It does seem, however, that the models that incoroprate polarization of water can reproduce water-water physical properties. There are a number of potentially good water-water models, most of which have already been generalized to include polarization terms. I would like to thank those who replied to my earlier questions. For the benefit of those who are interestred, below is a short list of recent references to water-water and some water-solute models. At present I am thinking of generalizing such polarization models to solute molecules. My particular interest is in MD and MC simulations; if anyone should have any good suggestions/ references, I would welcome them. Thanks in advance, Wayne Sonnen wsonnen@eagle.weselyan.edu 1) Michiel Sprik, et al "Solvent polarization and hydration of the chlorine anion" J. Phys. Chem. (1990), {\bf 94}, 6483-6488 2) James Cadwell, et al "Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions" J. Am. Chem. Soc., (1990) {\112}, 9144-9147 3) Liem X. Dang, et al. "Ion solvation in polarizable water: molecular dynamics simulations" J. Am. Chem. Soc., (1991) {\bf 113}, 2481-2486. 4) Xin Gui Zhao, et al. "Molecular modeling of solvation Cl^{-}(D_{2}0)" J. Chem. Phys. (1991) {\bf 94} 5544-5558 5) Peter Ahlstrom, et al. "A molecular dynamics study of polarizable water" Mol. Phys. (1989) {\bf 68}, 563-581. 6) William L. Jorgensen, et al. "Comparison of simple potential functions for simulating liquid water" J. Chem. Phys. (1983), {\bf 79}, 926-935. 7) H. J. C. Berendsen, et al. "The missing term in effective pair potentials" J. Phys. Chem., (1987) {\bf 91}, 6269-6271. 8) G. Chafasinski, et al. "Ab initio study of intermolecular potential of H_{2}0 trimer" J. Chem. Phys., (1991) {\bf 94}, 2873-2883. 9) K. Ramnarayan, et al. "The effect of polarization energy on the free energy perturbation calculations" J. Chem. Phys., (1990) {\bf 92}, 7057-7067. 10) U. Niesar, et al. "Molecular dynamics simulations of liquid water using the NCC ab initio potential" J. Phys. Chem., (1990) {\bf 94}, 7949-7956. From chemistry-request@ccl.net Wed Oct 2 22:57:47 1991 Date: Wed, 2 Oct 91 22:47:04 EDT From: Michael A. Lee To: chemistry@ccl.net Subject: Water science Status: R Hello chemistry list, I just received the posting by Wayne Sonnen about the water-water potentials and water-solute interactions. I wanted to publicly thank him for the work he did collecting this information and to say that this is an example of the kind of information exchange that makes me subscribe to this list. Thanks to Jan for maintaining the list and thanks to all the others who use it for equally important information transmissions to help us all do our research better. You all probably already knew it was important. Mike Lee Kent State From chemistry-request@ccl.net Wed Oct 2 23:30:00 1991 Date: Wed, 2 Oct 91 23:24:24 EDT From: states@ncbi.nlm.nih.gov (David States) To: chemistry@ccl.net Subject: Re: Slide making Status: R We have had good luck using a networked MacIntosh and LaserGraphics LFR film recorder on the Mac. To grab molecular graphics from an SGI, I use the SGI Showcase screen grabber, edit and annotate the image in Showcase, and then save it as encapsulated PostScript (EPS). The EPS can be sent directly to the slidemaker using a cross mounted disk and the Mac applicaton "Freedom of the Press". It sounds complicated, but in practice it is pretty simple, and chances are you are going to want to pull an image into a drawing program at some point to add annotation etc. Showcase on the SGI works quite well for me. For other presentation graphics, I use FrameMaker on both the Unix boxes and the Macs. The files are binary compatible so you can cross mount the disk and edit the same file on either machine. Saves alot of headaches in keeping versions straight. To generate slides, run Frame on the Mac, select the film recorder, and print. Having the film recorder physically on a Mac is a big advantage. Better software, lower cost, inexspensive scanners and softerware available, and it is accessible to non-unix users and people who know and love a particular Mac graphics program. David States National Center for Biotechnology Information / National Library of Medicine