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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use std::path::PathBuf;

use dreid_forge::io::Format;

#[derive(Debug, Clone)]
pub struct OutputSpec {
    /// Path to write to, or `None` for stdout.
    pub path: Option<PathBuf>,
    /// Output format.
    pub format: Format,
}