schrodinger.application.livedesign.two_d_render module¶

Create 2D ligand rendered images, highlighting annotated atoms

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

Parameters

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