DOCS.md

Documentation

Functions

calculate_sasa_at_protein_level

Signature: calculate_sasa_at_protein_level(pdb_path: String,probe_radius: Option,n_points: Option)

Returns: float (f32) Example:

import rust_sasa_python
rust_sasa_python.calculate_sasa_at_protein_level("path_to_pdb_file.pdb") # Also supports mmCIF files!

calculate_sasa_at_residue_level

Signature: calculate_sasa_at_residue_level(pdb_path: String,probe_radius: Option,n_points: Option)

Returns: array of SASA values for each residue Example:

import rust_sasa_python
rust_sasa_python.calculate_sasa_at_residue_level("path_to_pdb_file.pdb") # Also supports mmCIF files!

calculate_sasa_at_atom_level

Signature: calculate_sasa_at_atom_level(pdb_path: String,probe_radius: Option,n_points: Option)

Returns: array of SASA values for each atom Example:

import rust_sasa_python
rust_sasa_python.calculate_sasa_at_atom_level("path_to_pdb_file.pdb") # Also supports mmCIF files!

calculate_sasa_at_chain_level

Signature: calculate_sasa_at_chain_level(pdb_path: String,probe_radius: Option,n_points: Option)

Returns: array of SASA values for each chain Example:

import rust_sasa_python
rust_sasa_python.calculate_sasa_at_chain_level("path_to_pdb_file.pdb") # Also supports mmCIF files!