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IFMlab / ChemFlow

Computational Chemistry Workflows
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Review .config #6

Closed diegoenry closed 6 years ago

diegoenry commented 7 years ago

The .config file is way too complicated. I think we can put the details in the manual and create a tool to build this .config file.

The truth is that most users won't read the manual, expecting a "comand -h" or a "configure" to give/prepare them all they need.

cbouy commented 7 years ago

There's already ConfigFlow that can guide the user to create a proper config file, through a graphical interface (zenity). However since it's a graphical interface, it won't work on mazinger for instance. We could make an interactive command line version, and launch it directly from DockFlow or ScoreFlow if the user provides a --config flag.