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
Category: Vortex Scripts
I’m finding that I using Vortex more and more in my day job, it is an excellent application for displaying and exploring large or complex
When working with multiple data sets of molecules, particularly if combining them from multiple sources, one of the most common tasks is removal of duplicates.