From stoutepf(+ at +)carbon.dmpc.com Sat Jul 12 12:06:44 1997 Received: from gatekeeper.es.dupont.com for stoutepf.,at,.carbon.dmpc.com by www.ccl.net (8.8.3/950822.1) id LAA12246; Sat, 12 Jul 1997 11:31:55 -0400 (EDT) Received: by gatekeeper.es.dupont.com; id LAA05511; Sat, 12 Jul 1997 11:31:54 -0400 Received: by esds01.es.dupont.com; id AA18607; Sat, 12 Jul 97 11:31:53 -0400 Received: from [158.117.203.78] (ram203078.dmpc.com [158.117.203.78])by carbon.dmpc.com (8.8.5/8.8.5) with ESMTP id LAA02174for ; Sat, 12 Jul 1997 11:31:50 -0400 (EDT) Message-Id: In-Reply-To: References: <199707111915.PAA09791.,at,.www.ccl.net> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Organization: The DuPont Merck Pharmaceutical Company X-Mailer: Eudora Pro 3.0 for Macintosh Date: Sat, 12 Jul 1997 11:31:43 -0400 To: chemistry ":at:" www.ccl.net From: Pieter Stouten Subject: Biosym scripting language (was: Object-oriented means for computational chemistry programming) On 97/07/11 at 20:19 -0400, Mike Kotelyanskii wrote: >That's actually what Biosym has been doing for last couple of years. >Their script language was actually Tcl >(if I am not mistaken...) > Discover's scripting language is TCL, but the regular Biosym scripting language is an abomination called BCL (Biosym Control Language ?). The syntax is not fully documented (kind of strange as there is a BCL interpreter), nor does there seem to be anybody at MSI who has anywhere near complete BCL knowledge. When we were still actively working on our BForce implementation (the MSI version is known as Affinity), we ran into many problems, most often related to parameter passing. It would have made sense to change from BCL to TCL with specific Biosym extensions if it were not for the fact that it can be expected (conjecture on my part) that over time users will migrate from insightII to Cerius2 and, therefore, revamping insightII does not make sense. -- Pieter Stouten || There is more to life Computer Aided Drug Design Group || The DuPont Merck Pharmaceutical Company || than avoiding litigation P.O. Box 80500, Wilmington, DE 19880-0500 || Phone: +1 (302) 695 3515 || -- Fax: +1 (302) 695 9090 || Internet: stoutepf.,at,.carbon.dmpc.com || Pieter Stouten Web: http://www.halcyon.com/stouten/ ||