Table of Contents
Batch scripts
This page contains user-made scripts that can be used from command line to perform repetitive task in BKChem. The most common case is conversion between formats, but the possibilities are virtually unlimited.
Yo use the scripts you just need to run BKChem with a -b switch and name of the batch script file:
bkchem -b script_name.py [args - passed to the script]
To learn more about BKChem batch scripts, please refer to the official documentation.
Available batch scripts
Scripting with OASA
Alternatively one can use OASA to do some batchwork. Compared to the bkchem batch scripts, this is more low level. (and more fun too…)
