protein-design-tools 0.1.9

A library of tools for protein design.

A library of tools for protein design.

Installation

Describe how to install your package. For example:

pip install protein-design-tools

Usage

Provide some examples of how to use your package. For example:

Calculate the radius of gyration of a protein structure's backbone

from protein_design_tools import protein_structure, protein_structure_utils

protein = protein_structure.ProteinStructure()
protein.read_pdb("example.pdb")

# Get the sequence of each chain in the protein
sequence_dict = protein.get_sequence()
for chain_id, sequence in sequence_dict.items():
    print(f"Chain {chain_id}: {sequence}")

# Calculate the radius of gyration
rg = protein_structure_utils.get_radgy(protein)
print(f"The radius of gyration of the protein structure is : {rg}")

Contributing

Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.

License

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MIT