diff --git a/README.md b/README.md new file mode 100644 index 0000000..83dd88d --- /dev/null +++ b/README.md @@ -0,0 +1,45 @@ +# Pymol-Ramachandran + +A simple script to generate a Ramachandran plot from structures within pymol. + +## Installation / How-to-use + +1. Download the repository to your computer. Store the code in $pwd (preferred). Find this directory by running, + +``` +PyMOL> pwd +``` + +The repository can be downloaded either using `Git` or `Download ZIP` directly in Github. Using git this can be done using + +``` +$ git clone https://github.com/exTerEX/pymol-ramachandran.git /path/to/pwd +``` + +2. Run script in pymol (example assume script is in $pwd) + +``` +$ run ramachandran.py +``` + +3. Generatet a Ramachandran plot. Fetch one or more structures in pymol and run + +``` +$ ramaplot() +``` + +or specify which model/residues to be used to generate the plot + +``` +$ ramaplot(model="(pdb-id)", resn="(residue)") +``` + +or use multiple models/residues + +``` +$ ramaplot(model=["(pdb-id)", "(pdb-id)", ...], resn=["(residue)", "(residue)", ...]) +``` + +## License + +This project is licensed under MIT. See [LICENSE](LICENSE) for more information.