From chemistry-request@ccl.net Fri Feb 22 13:03:20 1991 Date: 22 Feb 91 12:44 EST From: JUDITH.SHELLING@ukwang.uky.edu Subject: postdoctoral position To: chemistry@ccl.net Status: R to: chemistry@ccl.net,shelling@ukcc Description of available postoctoral position. Postdoctoral-level research on structure-function relationships in peptide toxins or calcium-mediated adhesion proteins, uisng a combination of NMR and molecular modeling (computational) techniques. A 500MHz NMR spectrometer, high resolution graphics workstation, and superomputer are available for these studies. Candidates must have good problem-solving skills and be able to work independently. Preference will be given to those candidates with previous ezperience in multidimensional NMR and/or molecular modeling techniques. Applications and inquiries should be directed to: Dr. Judith G. Shelling Department of Biochemistry University of Kentucky 800 Rose Street Lexington, KY 40536-0084 judith.shelling@ukwang.uky.edu (606) 257-4790 --- From chemistry-request@ccl.net Fri Feb 22 16:06:04 1991 Date: Fri, 22 Feb 91 15:46 EDT From: DMITRIENKO@GIDWAT.UWaterloo.CA Subject: Software for the DS5000? To: chemistry@ccl.net Status: R I have recently acquired access to a new DecStation5000 and would be very interested in any information concerning software including commercial and academic molecular modelling, molecular orbital and molecular mechanics/dynamics software which is compatible with this platform. --- From chemistry-request@ccl.net Fri Feb 22 16:31:59 1991 Date: Fri, 22 Feb 91 16:16 EST From: "DOUGLAS A. SMITH" Subject: Re: Software for the DS5000? To: DMITRIENKO@GIDWAT.UWaterloo.CA, chemistry@ccl.net Status: R My research group has been involved with porting software to the DECstation platform (as have other groups, I am sure). We have ported MOPAC 5.0 and 6.0 (Brent Bessler has also ported 6.0 and made it available via anonymous ftp [I don't recall the address, but you can write to Brent at BBESLER@ VELA.ACS.OAKLAND.EDU]. Be careful - his version does not reproduce the output from the test jobs as ran under MOPAC 5.0 - he is looking into this.) We have also ported MM2, Density (a MOPAC utility) and have an Xwindow version of DRAW we call XDRAW. This is available via anonymous ftp at UOFT02.UTOLEDO. EDU in the Chemistry directory. We also have a running version of Bill Jorgensens PSI88 program, complete with shell scripts. If you get Bill's permission (he's at Yale, again, I don't have his e-mail address handy) I can send it to you. Clark Still's MacroModel back end number cruncher BATCHMIN 3.1 is available - contact Clark at Columbia (SL$MODEL@CUCHEM.BITNET) or Wayne Guida at Ciba-Geigy in NJ for this. Gaussian 90 is available from Gaussian Inc. GAMESS is available from Mike Schmidt at North Dakota State University. There must be others, but those are all I know about right now. Doug Smith Assistant Professor of Chemistry The University of Toledo Toledo, OH 43606-3390 (419)537-2117 (419)537-4033 FAX --- From chemistry-request@ccl.net Fri Feb 22 20:27:58 1991 Date: Fri, 22 Feb 91 20:10:06 -0500 From: Free Wheeler Subject: Biocomputational Newsgroup/Mailing list To: chemistry@ccl.net Status: R There are efforts underway to create a national Newsgroup/Mailing list which would focus on the areas associated with biocomputation and biomathematics. In particular, some of these areas would most probably be: - Computational Biology - Biomathematics - Visualization (as it pertains to biological processes) - Computer imaging (as it pertains to biological processes) If you think this would be a good newsgroup/mailing list to have around or would like more information on its goals and objectives, then please send me some mail to the address, curtiss@umiacs.umd.edu (on the Internet) or uunet!mimsy!curtiss (via uucp) [NOTE: Please do *not* respond to chemistry@ccl.net ^^^^ as I will not see your reply] Let me know if you just support the effort and/or if you would like to be included in the newsgroup/mailing list distribution when it forms. Thank you very much for the consideration and any interest and special note of thanks to Lisa Balbes of RTI for letting me post this request to the chemistry mailing list. Tah. Phil! ---- Domain: curtiss@umiacs.umd.edu Phillip Curtiss UUCP: uunet!mimsy!curtiss UMIACS - Univ. of Maryland Phone: +1-301-405-6744 College Park, Md 20742 ---