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: schrodinger.structure._structure.Structure, file_name: str, annotation_property: str = None, highlight_smarts: str = None)

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

Parameters

• st – Ligand structure

• file_name – Name of the output file

• annotation_property – Maestro property to annotate

• highlight_smarts – List of SMARTS strings to highlight