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========= | ||
Changelog | ||
========= | ||
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0.1.5 (tba) | ||
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**New features**: | ||
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- ``molpx.visualize``: | ||
- new method ``visualize.correlations()`` to visualize the feature_TIC_correlation attribute of PyEMMA TICA-objects | ||
in the widget | ||
- method ``visualize.traj()`` has new optional parameter ``projection`` to accept a PyEMMA TICA object to | ||
visualize the linear correlations in the widget AND in as trajectories f(t) | ||
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- ``molpx.bmutils``: | ||
- new method ``bmutils.most_corr_info()`` to support the new methods in ``molpx.visualize`` | ||
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- notebooks: | ||
- new section added to showcase the better PyEMMA integration, in particular with TICA | ||
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**Fixes**: | ||
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- ``molpx.visualize``: | ||
- all calls to ``nglview.show_mdtraj()`` has been wrapped in ``_initialize_nglwidget_if_safe`` to avoid | ||
erroring in tests |
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