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Contributors

APBS was initially written by Nathan Baker during his graduate work with J. Andrew McCammon and Michael Holst and extensively developed over the subsequent years. APBS uses several libraries written by Michael Holst and members of the Holst group, including: PMG (multigrid solver for Cartesian mesh discretization), FEtk (provides finite element framework, error estimators, and solvers), and MALOC (hardware abstraction library for code portability). Additionally, a number of people have made important contributions to enhance APBS functionality and usability. The full author list (in alphabetical order) is:
  • Nathan Baker
    • Primary author
  • Steve Bond
    • FEtk library compatibility
    • Vopot functions
  • Larry Canino
    • Solvent accessibility function modification
  • Zhan Chen
    • Geometric flow
  • Vincent Chu
    • Size-modified PBE support
  • Todd Dolinsky
    • Developer
    • Python wrappers
    • PDB2PQR
    • Output logging
    • Examples, and other tools
  • Adrian Elcock
    • Parameter files
  • Dave Gohara
    • Developer
  • Michael Grabe
    • Membrane support and tutorials
  • Yong Huang
    • Developer
  • Michael Holst
    • Advisor during initial development
    • Author of several routines scattered about APBS
    • Author of PMG (the multigrid library used by this code)
    • Author of MALOC (hardware abstraction library used by this code)
    • Author of FEtk (finite element library incorporated in developmental versions of this code)
  • Adrian Kaats
    • multivalue.c
  • Patrice Koehl
    • Aqua, a streamlined version of the Michael Holst group PMG multigrid library
  • Robert Konecny
    • Parameters
    • CHARMM FORTRAN interface
    • OpenDX to MOLMOL conversion
  • Chiansan Ma
    • Format conversion scripts
  • J. Andrew McCammon
    • Advisor
    • Financial and equipment support during initial development
    • Functionality suggestions
  • Jens Nielsen
    • PDB2PQR
  • Jay Ponder
    • TINKER Interface
  • Michael Schnieders
    • Polarizable atomic multipole routines
    • TINKER interface, higher-order spline routines
  • David Sept
    • Scripts and tools
    • Original VMD compatibility
    • General suggestions about functionality
    • Tongye Shen
    • Finite element mesh generation
  • Samir Unni
    • APBS Opal web services client code
  • Guowei Wei
    • Geometric flow capabilities
  • Justin Xiang
    • Generalized Born Python utilities
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