Wednesday, January 17, 2018

Avogadro: Chemical editor, visualization and analysis


One of the first things I noticed after being out of the lab for a few years is that the scientists have been getting younger -- or...well...something else I'd rather not consider has occurred.


[Go Go Gadget Denial!]

An upside of this is a running notepad on my telephone of the cool new tools I'm learning about that are being used in school these days/recently that I need to check out. The first I'm getting to this morning is Avogadro. It was described originally here, but appears to have evolved a lot since.


In it's simplest form it is a really powerful molecule editor -- akin to ChemSketch/Draw but with a simpler and more intuitive interface. It if has something comparable to the "mass spec scissors" I haven't found it yet (but I often just delete a bond anyway).

You can get Avogradro here.

Shoutout to Conor for the cool new icon/tool on my desktop!

No comments:

Post a Comment