Basic user CLI and utility functions #3
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This set of changes is aimed towards having an initial basic CLI for users. Such that we can plan protein mutation alchemical networks and run alchemical free energy simulations in a user friendly way.
The idea for now is to extend the current
openfeCLI with new commands and capabilities aimed towards protein mutations. Also having functions and utilities that can help generating the mutations themselves, generating the atim mappings and different systems such that they can be used with theopenfeprotocols.