Surge 2.0
A fast open-source chemical graph generator.
What's New in 2.0
- 64-bit word size: Supports larger molecular structures
- Aromaticity detection (
-R): Filter duplicate Kekule structures under carbon-ring aromaticity - Hexagon restrictions (
-h#,-h#:#): Control 6-membered cycle counts - Carbon 6-ring restrictions (
-C#,-C#:#): Limit carbon-only 6-membered rings - Improved summary reporting
Installation
Download the binary for your platform below, or build from source (see README).
Binaries
surge-linux-x86_64.tar.gz- Linux (x86_64)surge-macos-arm64.tar.gz- macOS (Apple Silicon)surge-windows-x86_64.tar.gz- Windows (x86_64, built with MSYS2)