Crate rust_sasa 

RustSASA is a Rust library for computing the absolute solvent accessible surface area (ASA/SASA) of each atom in a given protein structure using the Shrake-Rupley algorithm. Example:

use pdbtbx::StrictnessLevel;
use rust_sasa::{SASAOptions, ResidueLevel};

let (mut pdb, _errors) = pdbtbx::open("./tests/data/pdbs/example.cif").unwrap();
let result = SASAOptions::<ResidueLevel>::new().process(&pdb);

Re-exports

pub use options::AtomLevel;

pub use options::ChainLevel;

pub use options::ProteinLevel;

pub use options::ResidueLevel;

pub use options::SASAProcessor;

pub use utils::io::sasa_result_to_protein_object;

pub use crate::options::*;

pub use crate::structures::atomic::*;

Modules

options

structures

utils

Functions

calculate_sasa_internal

Takes the probe radius and number of points to use along with a list of Atoms as inputs and returns a Vec with SASA values for each atom. For most users it is recommend that you use the SASAOptions interface instead. This method can be used directly if you do not want to use pdbtbx to load PDB/mmCIF files or want to load them from a different source. Probe Radius Default: 1.4 Point Count Default: 100 Threads Default: -1 (use all cores)

precompute_neighbors