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msmbuilder / msmbuilder-legacy

Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
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Feature request: No need to specify trajectory file extension #400

Closed mpharrigan closed 10 years ago

mpharrigan commented 10 years ago

In ConvertDataToHDF, we should have mdtraj load everything it can. One person was tripped up at the workshop trying to load in dcd trajectories, and I was caught off guard by this after the switch to mdtraj.

Furthermore, I think the workshop guy originally had pdb trajectories and had to convert to dcd so msmbuilder could load them, which shouldn't be necessary now that we're using mdtraj

rmcgibbo commented 10 years ago

+1. This shouldn't be too hard. Want to take a stab at it?