Error reading four letters residues

Electrostatics / pdb2pqr

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

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Error reading four letters residues #312

Closed alexmcff closed 1 year ago

alexmcff commented 2 years ago

I have a protein with a phosphorylated serine and I noticed there is an entry for PiSER in CHARMM.DAT that is called SEP1. However when I change my residue name in the pdbfile to SEP1 the server reads only SEP giving an error.

Any help would be appreciated

sobolevnrm commented 1 year ago

Can you please upload an example? I'll reopen the issue after you upload. Thank you.