APBS-PDB2PQR¶

APBS (Adaptive Poisson-Boltzmann Solver) and PDB2PQR are software packages designed to analyze the solvation properties of small molecules as well as macro-molecules such as proteins, nucleic acids, and other complex systems. This is the documentation for these packages; more information can be found at the APBS-PDB2PQR homepage.

Contents:

  • APBS-PDB2PQR overview
    • Why APBS and PDB2PQR?
    • What do I do next?
  • How to get the software
    • Web servers
    • Downloads
    • Release histories
  • Getting started
    • Using PDB2PQR to prepare structures
  • Getting help
    • GitHub issues
    • Announcements
    • Old mailing lists
    • Contacting the authors
  • PDB2PQR
    • Installing PDB2PQR
    • Invoking PDB2PQR
    • Extending PDB2PQR
    • PDB2PQR license
  • APBS
    • Installing APBS
    • Invoking APBS
    • APBS input files
    • Solvation model background
    • Caveats and sources of error
    • APBS utilities
    • APBS programmer’s guide
    • APBS license
  • Other software
    • Calculation setup and visualization
    • Dynamics simulations
  • File formats
    • Mesh and scalar data formats
    • Molecular structure formats
    • Matrix formats
  • APBS-PDB2PQR examples and tutorials
    • PDB2PQR operations
    • APBS examples
    • Visualizing results
  • Support for APBS-PDB2PQR
    • Supporting organizations
    • Please support us by registering
    • Contributors to date
  • Citing your use of our software
  • Suggested reading for APBS-PDB2PQR
  • Documentation TODO list

APBS-PDB2PQR

Navigation

Contents:

  • APBS-PDB2PQR overview
  • How to get the software
  • Getting started
  • Getting help
  • PDB2PQR
  • APBS
  • Other software
  • File formats
  • APBS-PDB2PQR examples and tutorials
  • Support for APBS-PDB2PQR
  • Citing your use of our software
  • Suggested reading for APBS-PDB2PQR
  • Documentation TODO list

Related Topics

  • Documentation overview
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