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Python Cookbook ExamplesΒΆ

There are large number of code examples available in OpenEye Python Cookbook that use OpenEye Toolkits to solve a wide range of cheminformatics and molecular modeling problems.

  • Image Manipulation chapter contains examples that illustrate how to manipulate images generated by the OEDepict TK.
  • 2D Depiction chapter contains examples that illustrate how the OEDepict TK and Grapheme TK can be utilized to depict molecules and visualize properties calculated with other OpenEye toolkits.
  • Visualizing 3D Information chapter contains examples that illustrate how the Grapheme TK can be utilized to project complex 3D information into the 2D molecular graph.
Sample of Python examples (click on any image below)
common/cookbook/../common/cookbook/images/enumfrags2pdf-1.* common/cookbook/../common/cookbook/images/libgen2pdf-1.* common/cookbook/../common/cookbook/images/activity2pdf-1.*
common/cookbook/../common/cookbook/images/fragxlogp2img.* common/cookbook/../common/cookbook/images/psa2img.* common/cookbook/../common/cookbook/images/fpoverlap2img.*