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Indigo: a cheminformatics toolkit. Bingo: RDBMS data cartridge for Oracle, MS SQL Server, and PostgreSQL
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README.md

README.md

GGA Indigo projects

Copyright (c) 2009-2013 GGA Software Services LLC GNU General Public License version 3

Introduction

This repository includes: * Bingo: Chemistry search engine for Oracle, Microsoft SQL Server and PostgreSQL databases * Indigo: Universal cheminformatics library, and the following tools: - Legio: GUI application for combinatorial chemistry - ChemDiff: Visual comparison of two SDF or SMILES files - indigo-depict: Molecule and reaction rendering utility - indigo-cano: Canonical SMILES generator - indigo-deco: R-Group deconvolution utility

Detailed documentations is available at http://ggasoftware.com/opensource

Main directory structure: * api: Indigo API sources * bingo: Bingo sources * build_scripts: CMake and python scripts for building all the sources

Source code organization

Each project is placed in the corresponding directory with CMakeList.txt configuration file, that does not include other projects. In order to build the whole project with the correct references you need to use CMake configurations from the build_scripts directory.

Build instructions

All the cmake projects are placed in build_scripts directories. You can use them manually, or execute preconfigured scripts that does all the job.

Bingo build instructions

To generate project configuration, build the source code, and create the archives for installation you need to execute build_scripts\bingo-release.py:

build_scripts\bingo-release.py --preset=linux32 --dbms=[postgres|oracle|sqlserver]

The are different cmake presets: linux32, linux64, win32, win64, mac10.5, mac10.6 (for 10.7 also)

Indigo build instructions

To generate project configuration, build the source code, and create the archives for installation you need to execute build_scripts\bingo-release.py:

build_scripts\indigo-release-libs.py --preset=linux32
build_scripts\indigo-release-utils.py --preset=win32

There are different cmake presets: linux32, linux64, win32, win64, mac10.5, mac10.6 (for 10.7 also)

To generate Java, C#, or Python wrappers after build the binaries you need to execute api\make-cs-wrappers.py make-java-wrappers.py make-python-wrappers.py

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