schrodinger.application.livedesign.two_d_render module

Create 2D ligand rendered images, highlighting annotated atoms

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.livedesign.two_d_render.create_2d_img(st, file_name, annotation_property=None, highlight_smarts=None, highlight_color=(1.0, 0.0, 0.0, 0.5))

Create the 2D rendered image of the ligand with the pKa and tolerances shown

  • st (schrodinger.structure.Structure) – Ligand structure

  • annotation_property (str) – Maestro property to annotate

  • file_name (str) – name of the output file

  • highlight_smarts (list of str) – list of smarts strings to highlight

  • highlight_color (tuple) – RGBA color value