search

Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
Other
125 stars 34 forks source link

atomic radius #311

Closed lex1213 closed 2 years ago

lex1213 commented 2 years ago

In an attempt to rebuild missing atoms in my input pdb file, the output pqr is giving multiple atoms with charge, but zero radius. What could be causing this?

sobolevnrm commented 2 years ago

Which atoms? Can you please provide the input PDB and the output PQR?