PDB2PQR --assign-only does not assign charges or radii - Githubissues

Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

http://www.poissonboltzmann.org/

128 stars 62 forks source link

PDB2PQR --assign-only does not assign charges or radii #573

Closed sobolevnrm closed 4 years ago

sobolevnrm commented 4 years ago

Demonstrated with 1A1P test. Next commit will provide example.