# - build structures based on `config.yaml`
# results would be written to the `results` directory
$ gdp -d ./results build ./config.yaml
# - build structures based on `config.yaml`
# some builders (modifiers) require substrates as input
# it can be set in `config.yaml` directly or as a command argument
$ gdp -d ./results build ./config.yaml --substrates ./sub.xyz
# - build 10 structures based on `config.yaml`
# `number` can be used for some random-based builders (modifiers)
# otherwise, only **1** structure is randomly built.
$ gdp -d ./results build ./config.yaml --substrates ./sub.xyz --number 10