Scripting Dotmatics Vortex 3

Posted by
Chris Swain
on 03 09 2012


Did you know? You can get unlimited access to our calculators and predictors on AWS Marketplace.


ChemAxon's Calculator (cxcalc) is a really useful command line program in Marvin Beans and JChem that performs chemical calculations using calculator plugins. There are a lot of calculations provided by ChemAxon (e.g. charge, pKa, logP, logD), and others can be added by writing custom plugins, perhaps one of the most useful is the ability to calculate the acidic and basic pKa.

Read the whole article on Macs in Chemistry here: