cyclicpeptide 1.4.1

A python package for cyclic peptides drug design

Project Name

cyclicpeptide is a Python package developed based on RDKit and NetworkX, specifically designed for the analysis and processing of cyclic peptide molecules. It includes tools such as Structure2Sequence, Sequence2Structure, GraphAlignment, PropertyAnalysis, StructureTransformer and SequenceTransformer (for format transformation), and SequenceGeneration. This package is open-source (https://github.com/dfwlab/cyclicpeptide) and provides detailed documentation (https://dfwlab.github.io/cyclicpeptide/) to support users in effectively utilizing tools.

Installation

To install the project, you can use pip:

pip install cyclicpeptide

Usage

Here's how you can use the project in your Python code:

from cyclicpeptide import module

module: PropertieyAnalyis/Sequence2Structure/Structure2Sequence/GraphAlignment/SequenceTransformer/SequenceTransformer/IOManager

# Example code
from cyclicpeptide import PropertieyAnalyis as PA

exmaple = [('Ctopa(CP00005)',
            'CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O',
            'FCYWATCT'),
           ('alpha-Amanitine(CP01656)',
            'CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O',
            'ATPTTT'),
           ('Anidulafungin(CP00145)',
            'CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O',
            'AA')]

smiles = exmaple[0][1]
sequence = exmaple[0][2]
print(PA.chemial_physical_properties_from_smiles(smiles))

Contributing

If you would like to contribute to the project, please follow these steps:

1.Fork the repository
2.Create a new branch (git checkout -b feature)
3.Make your changes
4.Commit your changes (git commit -am 'Add new feature')
5.Push to the branch (git push origin feature)
6.Create a new Pull Request

License

This project is licensed under the MIT License - see the LICENSE.md file for details.

Contact

If you have any questions or concerns, feel free to contact me at [e-mail].