Cheminformatics on a Mac
I’ve recently needed to set up a new Mac and I realised that the current installation process for all the applications, tools, chemistry toolboxes, and associated dependencies was unmanageable. I have a mixture of apps that I have compiled myself, others that I have simply used the precompiled binaries, others from Macports etc.
I decided to write a detailed account of the process of installing a number of toolkits and packages using Homebrew and PIP.
You can read the full account here in the hints and tutorials.
I’d be delighted to hear of any comments or suggestions for addition.