Surge logo structure generator

Brendan D. McKay, Christoph Steinbeck and Mehmet Aziz Yirik



Surge is an open-source program for generating the graphs of chemical structures.

It is written in C and runs on the command line in Linux, MacOSX or Windows.


A full description of the options is provided by the manual.

A draft paper on surge is available at ChemRxiv.

How to get it

The main source page for surge is on GitHub. Some precompiled executables are there.

You can also compile it youself from the source files using the instructions given in the manual. You will need nauty, and if you want the optional built-in ability to gzip the output you will need zlib.


Brendan.McKay (at)