From chemistry-request@ccl.net Tue Apr 21 02:49:46 1992 Date: Tue, 21 Apr 92 00:58:09 -0400 From: Anwar_Mohammed@F.GP.CS.CMU.EDU Subject: References needed...FAQ available? To: chemistry@ccl.net Status: R Hello! If some kind soul could help me out: I'd like to obtain a list of references (or better, an annotated bibliography) of the work done in protein modeling. I am specifically interested in _interactive_, graphical systems, but references which address broader issues in protein modeling, related chemical modeling work, or any seminal works in the field would also be greatly appreciated. I am a bit of a novice in the area. Thank You, anwar -- Anwar Mohammed Graduate Student anwar+@cs.cmu.edu (NeXTmail welcome) School of Computer Science Voice: +1 412 268 3043 Carnegie-Mellon University Fax: +1 412 681 5739 Pittsburgh, PA 15213-3890 From chemistry-request@ccl.net Tue Apr 21 14:14:05 1992 Date: 21 Apr 92 10:18:00 EDT From: "STEPHEN R. HELLER" Subject: Software for review To: chemistry Status: R 21 April, 1992 Subject: Computer Software for Review As the Software Review Editor for the ACS Journal of Chemical Information and Computer Science (JCICS) I often get software for review in the journal. I now have some packages in hand (see below) and I am looking for people who are willing to review the software. In return for the review you get to keep the software. The review should be completed in 1-2 months. The length of the review is 4-10 double spaced typed pages. Sample reviews can be found in most of the recent issues of JCICS. I have tried this approach with some software for review in the past few months and it is working reasonably well. As a result, I am continuing this new method to find reviewers using this e-mail/user group system. I hope it continues to work. I reserve the right to abandon this if it is a problem, or inappropriate. I will not notify people if I have found a reviewer. I can be reached on INTERNET (SRHELLER@ASRR.ARSUSDA.GOV), or if necessary, by phone at 301-504-6055 or FAX at 301-946-2704. PLEASE BE SURE TO INCLUDE AN STREET ADDRESS AND PHONE NUMBER!!! (I send the software by Federal Express.) Steve Heller The packages I now have are: 1. DERIVE, Version 2.10. This is an IBM PC based program which is called "A Mathematical Assistant". It says it is 2000 of mathematical knowledge on a disk. It does algebra, 2D plots, 3D plots, calculus, vectors and matrices, symbolic equation solving, functions, etc. requires a PC with DOS 2.1 or later, 512K of main memory. It comes with both 3 1/2 and 5 1/4 inch disks. 2. Derek, Version 11.3. The DEREK expert system stands for "Deductive Evaluation of Risk from Existing Knowledge". It is a VAX based program which helps to identify potential toxophores in organic molecules. It is a spin off the LHASA program from Corey. 3. Alchemy III for the Macintosh. This is an update of the Tripos program for 3D molecular modeling. Requires a Mac II or Quadra, 4 MB of memory, a hard disk, color monitor, math- co-processor, and a hardcopy device. 4. EPA' Sampling and Analysis Methods. Volumes I, II and III. From CRC Press. Requires an IBM PC, DOS 2.1 or later and 2 MB of hard disk space. Comes on 7 5 1/4 inch floppies. The program and database are designed to help EPA contractors and other scientists rapidly and easily select the most appropriate methods of sampling and analysis for a particular situation without having to search through the many published EPA volumes of regulations. 5. Microsoft Execl for Windows. Version 4.0. This is a spreadsheet program for the IBM PC. Requires MS DOS 3.1 or later, Windows 3.0 or later, 2 MB of main memory, EGA or higher resolution monitor. From chemistry-request@ccl.net Tue Apr 21 15:31:19 1992 Date: Tue, 21 Apr 92 11:32:57 EDT From: culmer@stardent.chem.UTOLEDO.EDU (Charles Ulmer) Subject: ISBN request To: chemistry@ccl.net Status: R Could someone please send me the ISBN and publisher of "Ab Initio Molecular Orbital Theory" by Hehre, Radom, Schleyer, and Pople? Thanks, Chuck Ulmer D.A.Smith Group University of Toledo From chemistry-request@ccl.net Tue Apr 21 20:23:23 1992 Date: Tue, 21 Apr 92 18:23:34 EDT From: m10!frisch@uunet.UU.NET (Michael Frisch) Subject: Re: ISBN request To: chemistry@ccl.net Status: R Could someone please send me the ISBN and publisher of "Ab Initio Molecular Orbital Theory" by Hehre, Radom, Schleyer, and Pople? Thanks, Chuck Ulmer D.A.Smith Group University of Toledo I don't have that information handy, but if you are trying to order the book (which doesn't seem to be in many bookstores), it is available >from Gaussian, Inc. Send mail to info@gaussian.com for details. ------- From chemistry-request@ccl.net Tue Apr 21 23:26:42 1992 Date: Tue, 21 Apr 92 21:27:57 EDT From: spollack@ester (S.K. Pollack) Subject: Ab Initio Book To: chemistry@ccl.net Status: R Not to make this a commerical war, but you can also get the book from Wavefunction, Inc. in Irvine California. By the way, are there any Spartan users out there who would like to compare notes? Steve Pollack Polymer Scientist and former Orbital Waver. -- _______________________________________________________________________ Steven K. Pollack | University of Cincinnati | Department of Materials Science | I notice that you are still & Engineering | using polymers! 498 Rhodes Hall ML#12 | - Lt. Commander Montgomery Scott Cincinnati, OH 45221-0012 | U.S.S. Enterprise spollack@ester.mse.uc.edu | ________________________________________________________________________