schrodinger.application.livedesign.lid module

Create Ligand Interaction Diagrams (LID) for LiveDesign.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.livedesign.lid.generate_lid(lig_st, rec_st, ref_st=None, lig_mapping=None, ref_mapping=None)[source]

Generate a Ligand Interaction Diagram and save it to a file

Parameters

  • lig_st ('schrodinger.structure.Structure') – Ligand structure

  • rec_st ('schrodinger.structure.Structure') – Receptor structure

  • ref_st ('schrodinger.structure.Structure' or None) – Reference structure (if specified)

  • lig_mapping (list or None) – Ligand mapping atom indices, or None

  • ref_mapping (list or None) – Reference mapping atom indices, or None

Returns

LID image

Return type

‘PyQt5.QtGui.QImage’