From arne@ewald.mbi.ucla.edu Sat Sep 18 04:56:34 1993 Date: Sat, 18 Sep 93 11:56:34 -0700 From: arne@ewald.mbi.ucla.edu (Arne Elofsson) Message-Id: <9309181856.AA23260@ewald.mbi.ucla.edu> To: CHEMISTRY@ccl.net Subject: Monte Carlo code for Proteins. Hi. Has someone any Monte Carlo code for proteins. I am looking for full (heavy) atom based code working in dihedral/angular space but anything would be welcome. I'm trying to incorporate some "Monte Carlo" like features in a genetic algorithm for all heavy atom proteins. arne PS. I now that someone out there has a MC code for charmm23, but I do not know who and I do not know how it is implemented. PPS. Even simplified models, as by Dill, Knapp etc might be of interest From raman@bioc01.uthscsa.edu Sat Sep 18 16:59:35 1993 From: raman@bioc01.uthscsa.edu (C.S.RAMAN) Message-Id: <9309190259.AA24123@bioc01.uthscsa.edu> Subject: Re: XPLOR To: chemistry@ccl.net Date: Sat, 18 Sep 1993 21:59:35 -0500 (CDT) Gus > I need some help! Does anybody have info regarding the vendor for > XPLOR? Any description of its capabilities? Please contact Dr. Axel Bru:nger at Yale University to obtain a licensed copy of XPLOR. There is a small fee for University based researchers to cover the cost of the manual (published by YUP) and the media. Dr. Bru:nger can be reached at: xplor@newton.biology.yale.edu Cheers -raman -- C.S.Raman raman@bioc01.uthscsa.edu - Internet UNIX Programming & Administration 70412.2354@compuserve.com - CIS SPARC & SGI Systems raman@hermes.chpc.utexas.edu - CHPC Department of Biochemistry c.raman@launchpad.unc.edu UTHSCSA 7703 Floyd Curl Dr. (210) 567-6623 [Tel] San Antonio, TX 78284-7760 (210) 567-6595 [Fax] ****************************************************************************** If a man's wit be wandering, let him study the Mathematics -Francis Bacon ******************************************************************************