From mcblab43@leonis.nus.sg Sun Mar 19 01:13:36 1995 Received: from sable.nus.sg for mcblab43@leonis.nus.sg by www.ccl.net (8.6.10/930601.1506) id AAA06155; Sun, 19 Mar 1995 00:36:09 -0500 Received: from leonis.nus.sg (mcblab43@leonis.nus.sg [137.132.1.18]) by sable.nus.sg (8.6.9/8.6.9) with ESMTP id NAA18166 for ; Sun, 19 Mar 1995 13:32:05 +0800 Received: (from mcblab43@localhost) by leonis.nus.sg (8.6.10/8.6.9/CNS-3.5) id NAA02963; Sun, 19 Mar 1995 13:31:50 +0800 Date: Sun, 19 Mar 1995 13:31:50 +0800 (SST) From: Loh Chang Shiung To: chemistry@ccl.net Subject: mailing ccl (fwd) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, Anyone knows if there are good packages that use genetic algorithms or simulated annealing to determine minimum structures of small molecules (ex: short peptide chains)? I will post a summary of relevant replies. Best Regards, Loh Chang Shiung, ~{B^UBP[~} Internet e-mail: mcblab43@leonis.nus.sg Centre for Natural Products Research, mcblab43@nus.sg Institute of Molecular and Cell Biology, Contact no.: (65) 772 6872 National University of Singapore. (65) 772 7816 From mcaffery@keller.clarke.edu Sun Mar 19 21:13:48 1995 Received: from keller.clarke.edu for mcaffery@keller.clarke.edu by www.ccl.net (8.6.10/930601.1506) id UAA12488; Sun, 19 Mar 1995 20:34:45 -0500 Received: by keller.clarke.edu (AIX 3.2/UCB 5.64/4.03) id AA20791; Sun, 19 Mar 1995 15:55:25 -0600 Date: Sun, 19 Mar 1995 15:55:24 -0600 (CST) From: "S. Mary Lou Caffery" To: chemistry@ccl.net Subject: 11th ICCCRE Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Can anyone who has attended a previous meeting of the International Conference on Computers in Chemical Research and Education tell me there reaction to the conference?? The 11th will be held in Paris in July 1995. The program sounds good but I would like to know a bit more...how many attend, are there sessions in English (or translated). Would appreciate any comments if you've attended one before! From srheller@ccl.net Sun Mar 19 23:13:50 1995 Received: from origin. for srheller@ccl.net by www.ccl.net (8.6.10/930601.1506) id XAA13425; Sun, 19 Mar 1995 23:13:43 -0500 Received: by origin. (5.x/SMI-SVR4) id AA19944; Sun, 19 Mar 1995 23:11:46 -0500 Date: Sun, 19 Mar 1995 23:11:46 -0500 (EST) From: "Stephen R. Heller" To: "S. Mary Lou Caffery" Cc: chemistry@ccl.net Subject: Re: CCL:11th ICCCRE In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Mary - I have attended most of the past ICCCRE's. The meetings are generally quite good. About 200-300 people attend. All the papers are in english. As a speaker at the meeting this year I suppose I am a bit biased too. Steve Heller Steve Heller, USDA, ARS, Plant Genome Program Bldg. 005, Room 337 Beltsville, MD 20705-2350 E-Mail: srheller@nalusda.gov Phone: 301-504-6055 FAX: 301-504-6231 From shenkin@still3.chem.columbia.edu Sun Mar 19 23:35:27 1995 Received: from mailhub.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.6.10/930601.1506) id WAA13290; Sun, 19 Mar 1995 22:49:07 -0500 Received: from still3.chem.columbia.edu by mailhub.cc.columbia.edu with SMTP id AA12796 (5.65c+CU/IDA-1.4.4/HLK for <@mailhub.cc.columbia.edu:chemistry@ccl.net>); Sun, 19 Mar 1995 22:49:05 -0500 Received: by still3.chem.columbia.edu (931110.SGI/930416.SGI.AUTO) for @mailhub.cc.columbia.edu:chemistry@ccl.net id AA27855; Sun, 19 Mar 95 22:49:04 -0500 From: "Peter Shenkin" Message-Id: <9503192249.ZM27853@still3.chem.columbia.edu> Date: Sun, 19 Mar 1995 22:49:02 -0500 In-Reply-To: "Simon Kilvington" "CCL:malloc etc. on DEC Alpha" (Mar 16, 6:13pm) References: <199503161813.SAA27313@vision.soton.ac.uk> X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: "Simon Kilvington" , chemistry@ccl.net Subject: Re: CCL:malloc etc. on DEC Alpha Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 On Mar 16, 6:13pm, Simon Kilvington wrote: > Subject: CCL:malloc etc. on DEC Alpha > Konrad Hinsen wrote: > > > > However, in all cases of malloc()-related crashes I have experienced > > so far (and that is a large number), the code calling malloc() was at > > fault. ..... This is my experience as well. Whether the user error trashes the malloc() arena or not depends essentially on luck. > a (fairly) easy way to check for writing passed the end of malloc > blocks is to replace calls to malloc with calls to a routine which claims > slightly more space than is needed, puts some id characters at the start > and end of the block eg "MALLOC_BLOCK" or something, and returns a ptr to > the first byte after the id.... You can also use the public-domain dbmalloc package, by Conor Cahill. As I understand it, this package does things similar to what Konrad suggests. Conor also has a commercial package called Sentinel which does fancier things as well. I've had great success with dbmalloc over the years -- most recently, about two weeks ago! -P. -- ************************ The secret of life: ************************* *Peter S. Shenkin, Box 768 Havemeyer Hall, Chemistry, Columbia Univ.,* * New York, NY 10027; shenkin@columbia.edu; (212) 854-5143 * ************* If you find a loose thread, don't pull it. *************