ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://autodock.scripps.edu
GNU General Public License v2.0
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Better command line options treatment #133

Closed atillack closed 3 years ago

atillack commented 3 years ago

This PR adds:

Code is tested locally but since the dpf file import is affected a larger scale test to make sure nothing that shouldn't break broke is needed.

atillack commented 3 years ago

Thank you @diogomart!