Date: Mon, 27 Nov 89 18:10 EST From: White Wolf Subject: Molecular Modeling Summary Greetings-- A while ago, in info-mac terms, I inquired about molecular modeling for the Mac. Boy did I open a can of worms. Okay I only got 16 replies, but they were good ones. Here's a summary: These packages can run from free demo-ware to over $1000, and I mean well over $1000 in one case. See if you can guess. I won't price specific programs, because Info-mac should be non-commercial; I included this pricing as a guide to the unknowing and unwary. These are in roughly alphabetical order--- Alchemy, Tripos Associates, St. Louis MO Was mentioned by three respondees. Can save as PICT file. Those expressing opinoin liked it, though a little "unmaclike." Ball and Stick, Norbert Mueller, K360171@AEARN.BITNET Several people mentioned this one, including the author. There is a demo in the info-mac archives at MACSERVE@PUCC or LISTSERV@RICE. Try get info-mac/demo/ball-and-stick-part1.hqx and info-mac/demo/ball-and-stick-part2.hqx. There are versions for the 512KE up to the SE and another version for 68020/030 machines i.e. Mac II's. The program supports multifinder, color, A/UX. Send a note to Norbert Mueller at the above bitnet adress for a more informative summary of features. Nine respondents mentioned Ball and Stick. Chem 3D/ ChemDraw, Cambridge Scientific Computing ChemDraw is "industry standard" so I'm told. Chem 3D is a 3D extension of Chemdraw. It reads Chemdraw files. Someone mentioned that a demo version was available, but I'm not sure. For more info try Cambridge Scientific Computing PO Box 2123 Cambridge, MA 02238 (617) 491-6862 or, in the UK (I think it's the same software) Orac, Ltd. 175 Woodhouse Lane Leeds LS2 #AR UK 532-441821 Cache Worksystem, Tektronix, inc. For the MacIIx of IIcx: You get an accelerator, trackball, 16 in color monitor, 3d stereo graphics card, graphics software, molecular editor software, assembly test and installation. This turns your Mac into a stereo molecular modeler. See Nature, vol 341, 5 Oct 1989, p 468 for a product review and more info. MacMimic, Anders Sundin, Author I got a note about this from the author. It is apparently in beta and will be ready in early 1990. It is for a MacII with 256 color monitor. Displays in stick or ball and stick format. Rotation in real time on smaller molecules. Other features. For more info contact: Anders Sundin Organic Chemistry 2 po box 124 S-22252 Lund Sweden Bitnet:OK2ANDERS@SELDC51.BITNET PC Model Serena Software, Bloomington,IN aka Kevin Gilbert This is a version of PC model for the MAcintosh. I didn't get a whoe lot of info about it, but it sounds like a decent program. Contact Serena Software for info. Someone mentioned that Serena software is located at Indiana U in Bloomington. NITRO, Tripos Associates, St louis MO Uses Mac as a front end for Nitro running on VAX/UNIX system. Probably more powerful running on the big system. Contact Tripos for more info. MolDraw. Mentioned by someone, but little was said. Apparently a port >From MS?DOS. Finally, I got a note from Tom Ngo, who wrote his own program, and would like info on marketability and features wanted. Tom, I hope you see this, to get an idea. To contact him: Tom Ngo 12 Oxford St. Box 201 Cambridge, MA 02138 or ngo@harvard.harvard.edu Wow, that was long. I hope I haven't made any errors, but hey, I'm only as good as my sources. Thanks for all the input. I'll relay it to my friend. Geoff Disclaimer: This isn't even my opinion! I just chew it up and spit it out. ------------------------------ ÿô