Rust facade

Add the facade crate with only the features you use. Its default features include mmCIF and PDB.

[dependencies]
molframe = "0.1.2"

Read a structure through the prelude:

use molframe::prelude::*;

fn main() -> Result<(), Box<dyn std::error::Error>> {
    let structure = read("model.pdb")?;
    println!("{} atoms", structure.atom_count());
    Ok(())
}

Analysis domains are feature-gated. Enable the corresponding feature deliberately when you need geometry, query, spatial, chemistry, crystallography, surface, analysis, validation, sequence, comparison, trajectory, audit, motif, or adapters support.

For exhaustive Rust symbols and feature details, use the generated Rust API documentation.