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Contact Inspector - PyMOL Plugin
Maestro-inspired protein-ligand interaction viewer for PyMOL. Automatically detects and visualizes all major non-covalent interactions, with ligand stepping for docking pose review.
H-bonds use PyMOL's built-in polar contact detection (cmd.distance mode=2) which correctly handles donor/acceptor chemistry. All other interaction types are detected geometrically.
Interaction categories:
Non-covalent bonds: H-bonds, halogen bonds, salt bridges, aromatic H-bonds
Pi interactions: Pi-pi stacking (face-to-face & edge-to-face), pi-cation
Contacts/Clashes: Good, bad, ugly (off by default)
Installation:
run /path/to/contact_inspector.pythenci_guiAuthors: Evert J. Homan, PhD; Claude (Anthropic)
Date: 2026-03-24
Version: 1.0
License: MIT