Structure Tools
Documentation
Background Information
- RCSB PDB-101: Understanding PDB Data
- Mobely Lab: Best Practices for Foundations in Molecular Simulations
Other Relevant Python Stuff
- Numpy and Scipy
- MDTraj
- ParmEd
- Pytraj
- Comparison of pytraj, MDAnalysis, and MDTraj
- ProDy
- Biopython
- Psi4
Other Tutorials/Workshops
- MolSSI Python Scripting for Computational Molecular Science
- MolSSI Python for Data Analysis
- Python Crash Course Cheat Sheets
- Software Carpentry Programming with Python
- Software Carpentry Plotting and Programming in Python
- ZAFF Modeling
- OpenMM Cookbook and Tutorials