Welcome to molecool’s documentation!¶
molecool is a Python package designed to read in, perfom analysis, and visualize molecular coordinates. The file formats xyz and pdb are currently supported.
We don’t actually recommend use of this package as it’s for illustrative purposes for MolSSI’s workshop on Best Practices in Python package development!
If you want to do visualization or analysis of molecular data in Python, there are libraries like MDAnalsis or NGLView.