chemx-ext 0.3.0

External-program interfaces (xtb, CREST) and the RDKit-free fallback conformer generator for chemx.
Documentation 
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//! `chemx-ext` — interfaces to external programs (xtb, CREST) and the
//! RDKit-free fallback conformer generator.
//!
//! The subprocess wrappers never require the external binary at build or test
//! time: the input writers and output parsers are pure functions tested against
//! vendored fixture strings (see `PROVENANCE.md` for the format sources), and
//! binary detection ([`xtb::find_xtb`], [`crest::find_crest`]) returns a named
//! [`ExtError::BinaryNotFound`] with install guidance when the program is
//! absent.

pub mod confgen;
pub mod crest;
pub mod ensemble;
pub mod kabsch;
pub mod xtb;
pub mod xyz;

mod error;

pub use error::ExtError;