Cannot add --display-coupled-residues flag to PDB2PQR webserver

Electrostatics / pdb2pqr

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

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Cannot add --display-coupled-residues flag to PDB2PQR webserver #320

Closed rediaz111 closed 2 years ago

rediaz111 commented 2 years ago

I'm reviewing my results from running a PDB file through PDB2PQR and I find this message. Coupled residues (marked *) were detected.Please rerun PropKa with the --display-coupled-residues or -d option for detailed information.

However, there is no option to pass this flag on the webserver.

sobolevnrm commented 2 years ago

Hello -- you will need to use the command line version of PDB2PQR or PROPKA to use this option. Thank you.