├── .gitignore ├── AUTHORS ├── CondaEnv └── environment.yml ├── LICENSE ├── README.md ├── Tutorial-Command-Line-Interface-Step_1.py ├── Tutorial-Command-Line-Interface-Step_2.py ├── Tutorial-Non-Canonical-and-Non-Proteic-Residues.ipynb ├── Tutorial-Single-Protein-CLI-Step_1.py ├── Tutorial-Single-Protein-Step_2.ipynb ├── Tutorial-Step_1-ProcessTrajectory.ipynb ├── Tutorial-Step_2-AnalysisAndPlots.ipynb ├── TutorialData ├── NonCanonical │ ├── clip.pdb │ └── clip.psf ├── decarboxylase.0.psf └── decarboxylase.1.short.dcd ├── TutorialResults └── README.txt └── toolkit └── figures ├── OMP-System-Network.png ├── nodeAtomGroup.png └── nodeContactDistances.png /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/melomcr/dynetan_tutorial/HEAD/.gitignore -------------------------------------------------------------------------------- /AUTHORS: 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