APBS (software)

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APBS and PDB2PQR
Original author(s)Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA (APBS); Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA (PDB2PQR)
Repositorygithub.com/Electrostatics/apbs-pdb2pqr
Written inPython, C++, C
Operating systemLinux
TypeMolecular electrostatics
License[[ license]]
Websitewww.poissonboltzmann.org

APBS (previously also Advanced Poisson-Boltzmann Solver) is a

BSD license
.

PDB2PQR prepares the protein structure files from Protein Data Bank for use with APBS. The preparation steps include, but aren't limited to adding missing heavy atoms to the structures and assigning charges from a number of force fields.[3][4] The output file format is PQR[5] and that's where the name of the software comes from.

References

  1. PMID 28836357
    .
  2. PMID 11517324
    .
  3. PMID 15215472
    .
  4. PMID 17488841
    .
  5. ^ "PQR molecular structure format — APBS-PDB2PQR 1.6 documentation". apbs-pdb2pqr.readthedocs.io. Retrieved 2019-05-23.

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