Adding 2 ligands simultaneously

Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

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Adding 2 ligands simultaneously #187

Closed brcnacar closed 3 years ago

brcnacar commented 3 years ago

I would like to introduce 2 mol2 files: one for phosphotyrosine and one for ATP. But I am only allowed to submit one mol2 file. how can I do this?

sobolevnrm commented 3 years ago

I think you can include multiple molecules in a single mol2 file; however, you may need to edit it manually. This feature isn't currently planned for support in PDB2PQR.

Thank you