This folder contains some stuff to help with various things relating to molecular modelling. You are free to distribute or modify them as you choose, but please acknowledge and refer to this.

A powershell script for compiling the program MRCC (https://mrcc.hu/) on Windows. Uses Intel compilers.

A python script which can be used to automatically add hydrogen bonds to the POV-ray images generated by Avogadro.

A lot of basis sets in GAMESS format, most of which are not available in the origianl program. Convereted from the PSI4 source code.

Some extra code that I wrote on https://mattermodeling.stackexchange.com.

A C++ code stub that reads PSF (protein structure files).