use membrane peptide dataset for on-the-fly transformations

MDAnalysis / binder-notebook

Notebooks for interactive use on https://mybinder.org/

https://mybinder.org/v2/gh/MDAnalysis/binder-notebook/master?filepath=notebooks

GNU General Public License v3.0

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use membrane peptide dataset for on-the-fly transformations #14

Closed orbeckst closed 5 years ago

orbeckst commented 5 years ago

fixes #13

add MDAnalysisData to environment
use membrane protein dataset

orbeckst commented 5 years ago

This will need a release of MDAnalysis 0.20.0 to actually work but otherwise I think it's ok.

orbeckst commented 5 years ago

@davidercruz if you could try it out locally in a branch of your code that has the transformations?

To get MDAnalysisData install with pip (conda not up yet I think)

pip install MDAnalysisData

orbeckst commented 5 years ago

PR https://github.com/conda-forge/mdanalysisdata-feedstock/pull/5 just got merged so the conda package should be up soon, too, so you can also install with

conda install -c conda-forge MDAnalysisData

davidercruz commented 5 years ago

Hi @orbeckst. I just tried it and it works as expected. It's just a bit slower on my computer due to the higher number of frames, but other than that it is fine.

orbeckst commented 5 years ago

Thanks!