primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Display interactions between ligand and receptor. #480

Closed primaryodors closed 2 weeks ago

primaryodors commented 2 weeks ago

Interactions stronger than a threshold value now appear joining the ligand's atoms to the protein atoms.

It is not perfect and sometimes chooses the wrong pair of atoms, however its purpose is to show which residues are interacting with the ligand and provide a visual indication of the interaction strengths.

image

No changes to docking code.