molvis

A minimal viewer for ORCA output (.out) files.

• Rust backend reads and parses ORCA text into energy + coordinates JSON
• JavaScript frontend uses 3Dmol.js to render molecular structures and switch frames with a slider

Install

From crates.io (published package):

cargo install molvis

From local source (not published yet):

cargo install --path .

Installed binary run

molvis /path/to/your.out
molvis -H 0.0.0.0 -p 8080 /path/to/your.out

Develop (run from source)

cargo run -- /path/to/your.out

Open http://127.0.0.1:3000

cargo run -- -H 0.0.0.0 -p 8080 /path/to/your.out