PyMOL wizard for paratope recognition. It leverages ANARCI and Parapred to detect the paratope of a given antibody and displays a labeled heatmap on the surface of the molecule in PyMOL, showing the probability of each residue being part of the paratope.
The wizard can be installed with the Wizard Installer tool. Docker is needed for installing and running on Windows.
The wizard can be accessed in one of two ways:
- by writing
wizard paratopein the PyMOL console; - by going to
Wizard->Paratope Heatmapin the external GUI (or the internal one, if in VR mode);
Use the wizard's interface to select a molecule, specify the light and heavy chain(s) and click the Run button. The wizard will display a gradient on the surface of the molecule, with green indicating a high probability of being part of the paratope and red indicating a low probability. Labels in the form (residue name, residue id, probability) will be displayed on any residue whose probability is above the specified threshold.