webinterface

[andreashlarsen]

Thank you for providing a great software!

When using propka via the web interface, is it then relevant to provide in methods what force field and pH that was used as input when running the online version? Or are the propka results (which I found in the pdb2pqr.stderr.txt file) the same no matter what pH and forcefield is used? I don't use the *.pqr file, just the pka values of some specific residues, as well as how buried these residues are.

best regards,
Andreas

By the way, I suggest that you mention in readme, that PropKa3 is run via the PDB2PQR tool in the web interface - that would make PropKa even more accessible and easy to use. E.g. change:

"PROPKA can be installed on your own computer (as described below) or run from a web interface (please register first)."

to:

"PROPKA can be installed on your own computer (as described below) or run from a web interface (please register first). Use the PDB2PQR tool, and see the PropKa output in the stderr file"