Auto-Mech / mechanalyzer

Tools construction, manipulation, visualization of chemical mechanisms
MIT License
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New: Basic CLI with subcommands #285

Closed avcopan closed 5 months ago

avcopan commented 5 months ago

Currently the only meaningful command is expand, which runs the ste_mech.py script to expand stereochemistry:

mechanalyzer expand

An example is included under examples/expand

To see the available subcommands, do:

mechanalyzer --help

To test that things work, you can use the greetme command to print "Hello, world!" to the screen:

mechanalyzer greetme