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markovmodel / PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂
http://pyemma.org
GNU Lesser General Public License v3.0
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Provide n_atoms and other useful selection stuff in featurizer #267

Open franknoe opened 9 years ago

marscher commented 9 years ago

Are you talking about makeing properties of mdtraj.Topology available?

So you do not need to write:

featurizer.topology.n_atoms

?

franknoe commented 9 years ago

Parts of it, yes. Sorry that was a quick issue that I just wrote to not forget it. Maybe you can look at it with Guille in more detail.

Am 20/04/15 um 19:18 schrieb Martin K. Scherer:

Are you talking about makeing properties of mdtraj.Topology available?

So you do not need to write:

featurizer.topology.n_atoms

?

— Reply to this email directly or view it on GitHub https://github.com/markovmodel/PyEMMA/issues/267#issuecomment-94514261.

Prof. Dr. Frank Noe Head of Computational Molecular Biology group Freie Universitaet Berlin

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