Metadata-Version: 2.1
Name: cyclicpeptide
Version: 1.4.0
Summary: A python package for cyclic peptides drug design
Home-page: https://github.com/Willow0316/cyclicpeptide/tree/master
Author: Willow
Author-email: willow.yang.b@gmail.com
License: MIT
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.8
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE.md
Requires-Dist: matplotlib==3.8
Requires-Dist: networkx==3.1
Requires-Dist: numpy==1.24.4
Requires-Dist: pandas==2.0.3
Requires-Dist: rdkit==2023.9.5
Requires-Dist: scipy==1.13.0

# Project Name

Detailed documentation for the cyclicpeptide(https://willow0316.github.io/cyclicpeptide-doc/index.html).

## Installation

To install the project, you can use pip:

    pip install cyclicpeptide

## Usage

from cyclicpeptide import module

**module**: PropertyAnalysis/Sequence2Structure/Structure2Sequence/GraphAlignment/StructureTransformer/SequenceTransformer

```python
# Example code
from cyclicpeptide import PropertyAnalysis 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))
```
