molcrafts-molrs 0.7.0

Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules)
Documentation
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//! Chemical perception algorithms operating on molecular graphs:
//! aromaticity, Gasteiger charges, hydrogen handling, ring detection,
//! stereochemistry, rotatable bonds, and SMARTS matching.

pub mod aromaticity;
pub mod gasteiger;
pub mod hydrogens;
pub mod rings;
pub mod rotatable;
pub mod smarts;
pub mod stereo;