1To: chemistry@infomeister.osc.edu 2Subject: CCL:TINKER Version 3.6 is Available 3From: <ponder@dasher.wustl.edu> 4Date: Mon, 02 Mar 98 14:44:59 -0600 5Cc: ponder@dasher.wustl.edu 6Reply-To: ponder@dasher.wustl.edu 7Sender: Computational Chemistry List <chemistry-request@infomeister.osc.edu> 8 9Dear CCL, 10 11The latest release of the TINKER molecular modeling package, version 3.6 12dated February 1998, is available from http://dasher.wustl.edu/tinker/ or 13via anonymous ftp from dasher.wustl.edu in the /pub/tinker area. 14 15TINKER is a modular, general package for molecular mechanics and dynamics 16with some special facilities and parameter sets for peptides and proteins. 17It supports AMBER-95, CHARMM, MM2, MM3, AMBER/OPLS and OPLS-AA. Some very 18preliminary parameters for our TINKER polarizable multipole force field 19are also included. The package contains advanced algorithms for energy 20minimization, distance geometry and global search that are not, to our 21knowledge, available elsewhere. TINKER is distributed with full source code, 22a User's Guide, and several examples and test molecule files. Directions are 23supplied for building the package on many Unix variants, Windows 95/NT and 24Macintosh. Prebuilt executables limited to a maximum of 3000 atoms are also 25provided for Windows 95/NT and Power Macintosh. 26 27Please see the web site above for further information. Comments, questions 28and suggestions for future improvements (yes, we are looking into a GUI...) 29can be sent to ponder@dasher.wustl.edu. 30 31 Jay Ponder 32 33-------- 34Jay W. Ponder Phone: (314) 362-4195 35Biochemistry, Box 8231 Fax: (314) 362-7183 36Washington University Medical School 37660 South Euclid Avenue Email: ponder@dasher.wustl.edu 38St. Louis, Missouri 63110 USA WWW: http://dasher.wustl.edu/ 39