http://opensource.scitouch.net/indigo/ 2010-03-10T14:01:29+00:00 http://opensource.scitouch.net/indigo/ http://opensource.scitouch.net/indigo/lib/images/favicon.ico text/html 2010-03-10T13:31:51+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/bingo/user_manual?rev=1268227911&do=diff Basics Data representation Bingo supports the following molecule formats: * Daylight SMILES with ChemAxon extensions * MDL (Symyx) Molfile * GZip-compressed Molfile * Internal binary format Bingo supports the following reaction formats: text/html 2010-03-09T20:04:10+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/main?rev=1268165050&do=diff At SciTouch LLC, we have extensive experience in developing organic chemistry software products for use in pharmaceutical companies, research institutes, and universities. Now we are ready to contribute a range of these software products to the open-source community. Our objective has always been to develop products of high quality and excellent performance. We hope that our software will be helpful for chemists around the world. We encourage our users to provide us with feedback, including bug … text/html 2010-03-09T19:29:39+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/dingo?rev=1268162979&do=diff Dingo is an IUPAC-compliant cross-platform open-source library for molecule and reaction 2D structural formula rendering. Dingo is written in portable C++ and supports Linux, Windows, and Mac OS X operating systems. The rendering is done via Cairo vector graphics library. zlib and libpng are needed for Cairo. No other third-party components are used. text/html 2010-03-08T12:25:11+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/bingo/installation_manual?rev=1268051111&do=diff System Requirements Operating Systems * Windows 2000/XP/2003/Vista/2008 (32-bit and 64-bit) * Linux (all modern distributions, 32-bit and 64-bit) * Solaris (including SPARC hardware) * Mac OS X 10.5 Leopard/10.6 Snow Leopard (64-bit) Database Servers * Oracle 9, 10, 11 * Oracle 10 XE text/html 2010-03-07T08:58:52+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/dingo/command-line_reference?rev=1267952332&do=diff The utility is called dingo-render.exe in Windows distribution or simply dingo-render in Linux or Mac OS X distribution. For Windows, the third-party library libcairo-2.dll and its dependencies are included as well. On Linux and Mac OS X, you should have libcairo installed on your system. text/html 2010-03-07T00:22:49+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/downloads?rev=1267921369&do=diff Bingo 1.3 Linux builds: 32-bit, 64-bit. Solaris builds for UltraSPARC III: 32-bit, 64-bit. Mac OS X builds: for 10.5, for 10.6. Source code. Sorry, but we do not have rights to distribute Windows builds as their DLL modules contain OCI library, which is copyrighted by Oracle (on Linux, Solaris, and Mac OS X this is not the case due to the different linking mechanism). In order to build a Windows (32-bit or 64-bit) distribution by yourself, please download the source code and read the instr… text/html 2010-03-07T00:18:57+00:00 Mikhail Kozhevnikov http://opensource.scitouch.net/indigo/dingo/option_reference?rev=1267921137&do=diff "input-format", string * smiles * rsmiles * molfile * rxnfile "output-format", string, * * pdf -- Portable Document Format * png -- Portable Network Graphics * svg -- Scalable Vector Graphics * wmf -- Enhanced Windows Metafile * mol -- MDL MOLFile (layout) * rxn -- MDL RXNFile (layout) text/html 2010-03-06T21:44:47+00:00 Mikhail Kozhevnikov http://opensource.scitouch.net/indigo/dingo/dotnet?rev=1267911887&do=diff The following items are included: * dingonet.dll --- .Net 2.0 assembly * lib32/dingo.dll --- 32-bit C++ library exposing C interface * lib64/dingo.dll --- 64-bit C++ library exposing C interface * Third-party open-source libraries: * lib{32,64}/libcairo-2.dll (LGPL 2.1, MPL 1.1) * lib{32,64}/libpng12-0.dll (as is) * lib{32,64}/zlib1.dll (as is) text/html 2010-03-06T21:39:34+00:00 Mikhail Kozhevnikov http://opensource.scitouch.net/indigo/dingo/jni?rev=1267911574&do=diff The following items are included: * com/indigo/Dingo.class --- com.indigo.Dingo wrapper class * com/indigo/Dingo.java --- the source code of the wrapper class * lib directory containing binaries for all supported platforms: * lib/Linux/x86/libdingojni.so --- 32-bit Linux binary * lib/Linux/x64/libdingojni.so --- 64-bit Linux binary * lib/Mac/10.5/libdingojni.dylib --- universal Mac OS X 10.5 binary (32-bit, 64-bit, 64-bit PPC) * lib/Mac/10.6/libdingojni.dylib --- universal Mac… text/html 2010-03-06T20:17:22+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/topbar?rev=1267906642&do=diff * Bingo * Overview * User Manual * Installation Manual * Performance Tips * Performance Measures * Building from Source * Dingo * Overview * Java Library Reference * .NET Library Reference * Option Reference * Command-Line Reference text/html 2010-03-05T21:32:43+00:00 Boris Karulin http://opensource.scitouch.net/indigo/resources?rev=1267824763&do=diff Algorithms Fingerprinting is a common technique for molecular screening. Daylight, Inc. introduced this technique, and it is described in the following article. Bingo fingerprints, as compared to Daylight fingerprints, are built not from bond paths, but from trees and rings. A Russian article describes the enumeration of subtrees, which in turn is based on reverse search by David Avis and Komei Fukuda. text/html 2010-03-05T15:57:31+00:00 Dmitry (Root) http://opensource.scitouch.net/indigo/cano/dotnet?rev=1267804651&do=diff The following items are included: * cano.net.dll --- .Net 2.0 assembly * cano.dll --- C++ library exposing C interface cano.dll is offered in 32-bit and 64-bit versions. Depending on the architecture, proper DLLs are loaded automatically from lib32 or lib64 directories. Path to those directories may be set up when creating a library instance.