tigress02
pgchem::tigress

Links

Pgchem::tigress would have been impossible without ‘standing on the shoulders of giants’, i.e it heavily uses code developed by other projects which are linked here, plus some other helpful tools when building your own chemical information system:

Checkmol/Matchmol A molecular analyzer/matcher written in Pascal by Prof. Dr. Norbert Haider from the University of Vienna, Austria. Checkmol/Matchmol is included in pgchem::tiress as the Barsoi library, essentially a library version ported to C for better portability.

PostgreSQL The open source RDBMS.

OpenBabel A general chemoinformatics toolbox, providing format conversion, calculators, a matcher and much more. OpenBabel is included in pgchem::tigress as a library.

mol2ps A free utility program for creating 2D Postscript graphics from chemical structures.

JME The JME Molecular Editor by Peter Ertl, Novartis. A Java applet which allows to draw / edit molecules and reactions (including generation of substructure queries) and to depict molecules directly within an HTML page.