Noel O'Blog

Let's suppose you need to iterate over the neighbours of an atom, and you want to know both the corresponding bond order and the atomic ...

One of the consequences of last year's overhaul of handling of kekulization, aromaticity and implicit hydrogens is the ability to easily...

A while ago I described some work I was doing to improve the overall speed of the Open Babel toolkit. Here I want to focus on a particular ...

This is a quick update on a previous post , where I mentioned that I had made Open Babel available as a snap. That snap is the released vers...

It is a good idea to avoid extending an existing format. If additional information needs to be stored, many formats provide a means to store...

Maintainers of Linux distributions do an amazing job packaging applications for users, so that "apt/dnf install openbabel"  makes ...

A few days ago I posted the following poll question on Twitter: How many Hs are on the N in the molecule described by this SMILES string? ...