semvec/pypi-packages huggingface dataset:
unipdb-mapper 0.0.1
Python Package for residue mapping between UniProt and PDB entries.
Requires Python: >=3.11
Keywords: PDB, UniProt, mapper, numbering, residue

# UniPDB Residue Mapper 
![PyPI](https://img.shields.io/pypi/v/unipdb_mapper?label=pypi%20package)
![PyPI - Downloads](https://img.shields.io/pypi/dm/unipdb_mapper)
![pylint]()

<p align="center"><img src="https://github.com/HrishiDhondge/unipdb_mapper/raw/main/.github/unipdb_mapper.png" height="250"/></p>

This package maps residue numbering from UniProt/PDB to PDB/UniProt. 

## Install

```
pip install unipdb_mapper
```

## Usage
This package can be used either in any of the Python scripts or via the terminal. 

### Usage via Python Script

1. Importing within a Python script
```
from unipdb_mapper import ResiduesMapper
```

2. Residue Mapping from UniProt to PDB
```
M = ResiduesMapper('P19339', [122, 145], 'UniProt')
MAP = M.resmapper_unp2pdb()
print(MAP)
```

3. Residue Mapping from PDB to UniProt
```
M = ResiduesMapper('1b7f', [123, 145], 'PDB')
MAP = M.resmapper_pdb2unp()
print(MAP)
```

4. Save results to a file
```
OUTFILE = M.output_writer('output.csv', MAP)
```

### Usage via Terminal
1. Getting help

```
$ unipdb -h
```

2. Residue Mapping from UniProt to PDB
```
$ unipdb -u P19339 -n 122 123 156 -o output.csv
```

3. Residue Mapping from PDB to UniProt
```
$ unipdb -p 1b7f -n 122 123 156 -o abc.csv
```


## News
If you like/use this repository, don't forget to give a star 🌟.

Some exciting updates including examples are planned so stay tuned!!
geotech-pandas 0.3.0
A Pandas extension for geotechnical calculations.
Requires Python: <4.0,>=3.10

[![Open in Dev Containers](https://img.shields.io/static/v1?label=Dev%20Containers&message=Open&color=blue&logo=data:image/svg%2bxml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCI+PHBhdGggZmlsbD0iI2ZmZiIgZD0iTTE3IDE2VjdsLTYgNU0yIDlWOGwxLTFoMWw0IDMgOC04aDFsNCAyIDEgMXYxNGwtMSAxLTQgMmgtMWwtOC04LTQgM0gzbC0xLTF2LTFsMy0zIi8+PC9zdmc+)](https://vscode.dev/redirect?url=vscode://ms-vscode-remote.remote-containers/cloneInVolume?url=https://github.com/fraserdominicdavid/geotech-pandas) [![Open in GitHub Codespaces](https://img.shields.io/static/v1?label=GitHub%20Codespaces&message=Open&color=blue&logo=github)](https://github.com/codespaces/new/fraserdominicdavid/geotech-pandas)

# geotech-pandas

The [*geotech-pandas*](https://fraserdominicdavid.github.io/geotech-pandas/) package is a
[Pandas](https://pandas.pydata.org/) extension that provides a suite of functions specifically
tailored for geotechnical engineering calculations, seamlessly integrating with the powerful data
manipulation and analysis capabilities of Pandas. This open-source extension empowers geotechnical
engineers to streamline their workflow, enhance data analysis, and improve productivity.

## Installing

To install this package, run:

```sh
pip install geotech-pandas
```

## Using

See the [User Guide](https://fraserdominicdavid.github.io/geotech-pandas/user-guide/) to get started
in using *geotech-pandas*.

## Contributing

See the [Contribution Guide](https://fraserdominicdavid.github.io/geotech-pandas/contribution/) to
learn more on how you can help improve *geotech-pandas*. By participating, you are expected to
uphold *geotech-pandas*'s [Code of Conduct](https://github.com/fraserdominicdavid/geotech-pandas?tab=coc-ov-file).

## License

*geotech-pandas* is licensed under the [BSD 3-Clause "New" or "Revised" License](https://github.com/fraserdominicdavid/geotech-pandas?tab=BSD-3-Clause-1-ov-file).