Noel O'Blog

That is, um, I investigate. I described chemfp in an earlier blogpost . Simply put, it comprises software by Python/C guru Andrew Dalke to...

Early on Wednesday I presented my recent paper on Universal SMILES at the New Orleans ACS. This is a canonical SMILES string that uses the ...

Now that Open Babel 2.3.2 has been released 6 months, I thought it might almost be time to talk about what's new, and also mention what...

I'll be presenting at the Spring ACS National Meeting in New Orleans in just over a week. The last ACS I was at was three years ago so ...

Notes: 1. Created using a Google spreadsheet and Timeline JS . 2. If anyone wants to send me updates (e.g. for commercial software like...

I've just become a convert to Fuzz testing . This is a rather simple idea for testing software that processes some user input: just send...

There's something that's always annoyed me when using Avogadro. On Windows, it often takes several clicks on a hydrogen before I hit...