APBS - Adaptive Poisson-Boltzmann Solver¶
| Release: | 3.4.1 |
|---|---|
| Date: | Dec 12, 2022 |
Overview¶
An understanding of electrostatic interactions is essential for the study of biomolecular processes. The structures of proteins and other biopolymers are being determined at an increasing rate through structural genomics and other efforts while specific linkages of these biopolymers in cellular pathways or supramolecular assemblages are being detected by genetic and proteomic studies. To integrate this information in physical models for drug discovery or other applications requires the ability to evaluate the energetic interactions within and between biopolymers. Among the various components of molecular energetics, solvation properties and electrostatic interactions are of special importance due to the long range of these interactions and the substantial charges of typical biopolymer components.
APBS solves the equations of continuum electrostatics for large biomolecular assemblages. This software was designed “from the ground up” using modern design principles to ensure its ability to interface with other computational packages and evolve as methods and applications change over time. The APBS code is accompanied by extensive documentation for both users and programmers and is supported by a variety of utilities for preparing calculations and analyzing results. Finally, the free, open-source APBS license ensures its accessibility to the entire biomedical community.
Contents¶
- Getting APBS
- Using APBS
- Solvation model background
- Supporting APBS
- Getting help
- Further reading
- File formats
- API reference
- Release history
- Current version (unreleased)
- APBS 3.4.1 (Apr 2022)
- APBS 3.4.0 (Jan 2022)
- APBS 3.0 (May 2020)
- APBS 1.5 (Oct 2016)
- APBS 1.4.2.1 (Jan 2016)
- APBS 1.4.2.0 (Jan 2016)
- APBS 1.4.1 (Aug 2014)
- APBS 1.4.0 (Jul 2012)
- APBS 1.3 (Oct 2010)
- APBS 1.2.1 (Dec 2009)
- APBS 1.2.0 (Oct 2009)
- APBS 1.1.0 (Mar 2009)
- APBS 1.0.0 (Apr 2008)
- APBS 0.5.1 (Jul 2007)
- APBS 0.5.0 (Jan 2007)
- APBS 0.4.0 (Dec 2005)
- APBS 0.3.2 (Nov 2004)
- APBS 0.3.1 (Apr 2004)
- APBS 0.3.0 (Feb 2004)
- APBS 0.2.6 (Jan 2003)
- APBS 0.2.5 (Nov 2002)
- APBS 0.2.4 (Oct 2002)
- APBS 0.2.3 (Oct 2002)
- APBS 0.2.2 (Aug 2002)
- APBS 0.2.1 (Apr 2002)
- APBS 0.2.0 (Mar 2002)
- APBS 0.1.8 (Jan 2002)
- APBS 0.1.7 (Dec 2001)
- APBS 0.1.6 (Nov 2001)
- APBS 0.1.5 (Oct 2001)
- APBS 0.1.4 (Sep 2001)
- APBS 0.1.3 (Sep 2001)
- APBS 0.1.2 (Sep 2001)
- APBS 0.1.1 (Aug 2001)
- APBS 0.1.0 (Aug 2001)
- Documentation “to-do” list