https://github.com/rmeli/scripts

Useful scripts
https://github.com/rmeli/scripts

Last synced: 2 months ago
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Useful scripts

• Host: GitHub
• URL: https://github.com/rmeli/scripts
• Owner: RMeli
• License: mit
• Created: 2019-03-18T16:51:09.000Z (about 6 years ago)
• Default Branch: master
• Last Pushed: 2019-10-28T11:07:11.000Z (over 5 years ago)
• Last Synced: 2025-02-01T05:26:03.412Z (4 months ago)
• Language: Python
• Homepage:
• Size: 3.8 MB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
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# Scripts

## Description

```bash

python -m scripts.MODULE

```

| Module            | Description                                   |

| :---              | ---                                           |

| `md.molsplit`     | Split a structure in different components.    |

| `md.reimage`      | Re-image MD trajectory according to PBC.      |

| `md.rmsd`         | Compute RMSD on an MD trajectory.             |

| `plot.bw`         | Box and wiskers plot (with flyers).           |

| `plot.dist`       | Plot distribution (histogram).                |

| `plot.pr`         | Plot PR curve for binary classifier.          |

| `plot.roc`        | Plot ROC curve for binary classifier.         |

| `plot.xy`         | Plot Y versus X.                              |

## Installation

```bash

pip install .

```

### Development

```bash

pip install -e .

```

## Documentation

This Python package is documented using [Sphinx](http://www.sphinx-doc.org/en/master/index.html). Python docstrings follow the [Google Python Style Guidelines](http://google.github.io/styleguide/pyguide.html#38-comments-and-docstrings)

### Automatic Generation

```bash

cd docs

sphinx-apidoc -f -o source/ ../scripts/ 

```

### Build

```bash

cd docs

make html

```

### GitHub Pages