This repository has been archived by the owner on Jul 27, 2020. It is now read-only.
APBS 1.5.0
sobolevnrm
released this
31 May 16:38
·
707 commits
to master
since this release
APBS 1.5 CHANGELOG
These are notes for APBS version 1.5
- Binary releases may be found on GitHub and on SourceForge.
New Features
- Poisson-Boltzmann Analytical Method (PBAM, see Lotan & Head-Gordon) and Semi-Analytical Method (PBSAM, see Yap & Head-Gordon) integrated with APBS. PBSAM is currently only available in the Linux and OS X distributions.
- Tree-Code Accelerated Boundary Integral Poisson-Boltzmann Method (TABI-PB) integrated with APBS.(See Geng & Krasny)
- Examples are located with the APBS examples in the bem/, bem-pKa/, and bem-binding-energies/ folders
- Included NanoShaper alternative to MSMS.
- More information and documentation may be found in the Contributions section of the APBS-PDB2PQR website
- Added binary DX format support to the appropriate APBS tools.
- Test suite amended and expanded.
- Removed hard-coded limitation to number of grid points used to determine surface accessibility.
Known Bugs / Limitations
- PBSAM not building in windows due to C standard restrictions in the Microsoft compiler implementation.
Bug Fixes
- Build an iAPBS build bug.
- Fixed miscellaneous Windows build issues.
- OS X bundle problem on El Capitan.
Notes
- The following are included in APBS as Git submodules:
- Geometric Flow (link)
- FETk (link)
- PBAM/PBSAM (link)
- TABI-PB (link)
- To build on Windows from source, the root CMakeLists.txt file needs to be modified by un-commenting out the lines after "#if building on Windows" and commenting out the corresponding lines above.