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choderalab / ambermini

A stripped-down set of just antechamber, sqm, and tleap.
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pdb4amber? #29

Open jchodera opened 9 years ago

jchodera commented 9 years ago

Does pdb4amber get installed with ambermini? I don't see it getting put into the path.

swails commented 9 years ago

No, it's not. But it would be easy to add -- it's a simple Python program with no external dependencies.

swails commented 9 years ago

It's also currently Py2-only, to my knowledge (I don't know if 2to3 will work on it -- I haven't tried).

juliebehr commented 9 years ago

I agree that this would be helpful to have in ambermini!