Separate Scripts and Libraries (3.0)

[kyleabeauchamp]

Eventually (3.0 release), IMHO we should move towards a clean separation of executable scripts and library calls. I think that will definitely help with code reuse and readability.

[jchodera]

Shouldn't this be in the pymbar repo issue tracker instead, rather than this repo of examples?

[kyleabeauchamp]

No. our examples need refactoring.
On Apr 17, 2014 10:16 AM, "John Chodera" notifications@github.com wrote:

Shouldn't this be in the pymbar http://github.com/choderalab/pymbarrepo issue tracker instead, rather than this repo of examples?

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[jchodera]

Ah, good point. We had talked previously about having some general libraries for parsing, say, replica-exchange simulations, and separating that from the gromacs-specific readers.