CLI Quickstart

One command is all you need:

xyzrender caffeine.xyz

This writes caffeine.svg in the current directory, auto-oriented with depth cueing and bond orders.

Caffeine default render

Specify output path and format with -o (extension controls format):

xyzrender caffeine.xyz -o render.svg
xyzrender caffeine.xyz -o render.png
xyzrender caffeine.xyz -o render.pdf

From QM output (ORCA, Gaussian, Q-Chem — auto-detected from content):

xyzrender calc.out

From stdin:

cat caffeine.xyz | xyzrender

See Input formats, Configuration, Orientation, and the full CLI reference for everything else.