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.. _examples: | ||
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Examples | ||
======== | ||
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This page lists a few examples of visualizations based on chemiscope. | ||
Rather than providing a demonstration of a scientifc application, as for the | ||
examples on `the main page <http://chemiscope.org>`_, these examples | ||
consist in short Python scripts that demonstrate how to make a chemiscope | ||
viewer file that uses some particular features (e.g. atom coloring or shape | ||
visualization). | ||
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.. raw:: html | ||
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<h2>Trajectory data</h2> | ||
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.. figure:: img/example_pca.png | ||
:align: center | ||
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Trajectory data from a MD simulation of allyl alcohol, including | ||
visualization of force data | ||
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.. literalinclude:: ../../python/examples/trajectory.py | ||
:language: python | ||
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.. raw:: html | ||
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<h2>Structure-property maps</h2> | ||
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.. figure:: img/example_md.png | ||
:align: center | ||
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PCA map of the atomic environments in a dataset of allyl alcohol configurations | ||
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.. literalinclude:: ../../python/examples/structure_map.py | ||
:language: python | ||
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.. raw:: html | ||
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<h2>Color atoms by property</h2> | ||
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.. figure:: img/example_colors.png | ||
:align: center | ||
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Atom coloring based on the values of a local property | ||
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.. literalinclude:: ../../python/examples/colors.py | ||
:language: python | ||
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.. raw:: html | ||
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<h2>Add shapes to visualize data</h2> | ||
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.. figure:: img/example_shapes.png | ||
:align: center | ||
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Visualization of atomic and molecular data using vectors, ellipsoids ... and more | ||
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.. literalinclude:: ../../python/examples/shapes.py | ||
:language: python | ||
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