Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Issue using APBS plugin on polysaccharides #398

Open NoaBinnes opened 1 week ago

NoaBinnes commented 1 week ago

Hi, I am trying to visualize the electrostatic surface of several different kinds of molecules and some of them either contain polysaccharides (for example the protein MUC2, which is often O-glycosylated) or are themselves polysaccharides (such as hyaluronic acid, AKA HA). The ABPS plugin on PyMol and on the APBS website (see files generated for HA below) does not allow me to show the electrostatic surface of the sugars at all. Is this a bug? Is there a way to make this work? How can I visualize the electrostatic surface of the sugars? Best regards and thanks in advance.

pdb2pqr.stderr.txt pdb2pqr.stdout.txt pdb2pqr-metrics.json hcdfkw549v.log