Any way to manually define ligands/receptors?

paiardin / DockingPie

A Consensus Docking Plugin for PyMOL

GNU General Public License v3.0

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Any way to manually define ligands/receptors? #3

Closed polowish closed 1 year ago

polowish commented 1 year ago

Plug-in automatically detects ligands and receptors. The ligand (peptide) I'm attempting to use is recognized as a receptor and I'm therefore unable to dock with it. Is there any way around this?

samcphee commented 1 year ago

I am also interested in the answer to this.

SerenaRosi commented 1 year ago

Hi! Thank you for your interest in DockingPie and sorry for the late reply.

At the moment, it is not possible to manually define ligands/receptor. It is one of the new features that will be implemented in the next release of our plugin.

Best, Serena