Geoffrey Hutchison

Open Babel: An open chemical toolbox

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Confab - Systematic generation of diverse low-energy conformers

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from com...

The Blue Obelisk—Interoperability in Chemical Informatics

The Blue Obelisk Movement (http://www.blueobelisk.org/) is the name used by a diverse Internet group promoting reusable chemistry via open source software development, consisten...

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Effects of Charge Localization on the Orbital Energies of Bithiophene Clusters

Standard and constrained density functional theory calculations were used to study the degree of charge localization in positively charged bithiophene clusters. Although polariz...