dreid-forge 0.4.1

A pure Rust library and CLI that automates DREIDING force field parameterization by orchestrating structure repair, topology perception, and charge calculation for both biological and chemical systems.
Documentation 
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mod bio;
mod forge;

pub use bio::{
    build_clean_config, build_protonate_config, build_solvate_config, build_topology_config,
};
pub use forge::{build_bio_forge_config, build_chem_forge_config};

pub use crate::util::convert::potential_display_names as potential_names;