Docking and pose validation · Software
PoseBusters
Checks that a docked or generated ligand pose is physically plausible: bond lengths, clashes with the protein, stereochemistry and volume overlap.
What PoseBusters is
Checks that a docked or generated ligand pose is physically plausible: bond lengths, clashes with the protein, stereochemistry and volume overlap.
Run it here
PoseBusters is preinstalled on the machine behind every research conversation. Ask the agent in plain language, or give it the exact command — it runs it, reads the output and explains it.
Try asking
“Dock this ligand into the target with Vina and check every pose with PoseBusters before ranking them.”
Questions
Can I run PoseBusters online without installing it?
PoseBusters is preinstalled on the machine behind every research conversation. Ask the agent in plain language, or give it the exact command — it runs it, reads the output and explains it.
What licence is PoseBusters under?
PoseBusters is published under its authors' own licence; the project page at https://posebusters.readthedocs.io/en/latest/ states it.