From owner-chemistry@ccl.net Tue May 18 21:18:00 2010 From: "Richard Harper drrwharper!^!gmail.com" To: CCL Subject: CCL: Library enumeration software Message-Id: <-41890-100518171829-21716-GXd3g6YL4eMYhySJiD8v4Q,+,server.ccl.net> X-Original-From: Richard Harper Content-Type: text/plain; charset=ISO-8859-1 Date: Tue, 18 May 2010 16:47:48 -0400 MIME-Version: 1.0 Sent to CCL by: Richard Harper [drrwharper^^^gmail.com] What software are you using to enumerate (virtual or real) libraries of chemicals from a scaffold and sets of reagents? Among the requirements are the ability to enumerate large libraries (10^6 or more compounds); some flexibility in naming (ability to record the identifiers of the reactants); and Open Source or free academic license (or very inexpensive). Any suggestions are appreciated. Dick Harper Indiana University-Purdue University Indianapolis (IUPUI)