APBS 1.4.2 is now available
Dear APBS and PDB2PQR users:
We are pleased to announce the release of APBS 1.4.2 which is now available on GitHub and SourceForge. New features and bug fixes for this release are described below. The latest information about APBS and PDB2PQR can always be found at http://www.poissonboltzmann.org/.
Thank you for your continued support of APBS!
Sincerely,
The APBS & PDB2PQR Development Team
New Features
- Poisson-Boltzmann Semi-Analytical Method (PB-SAM) packaged and built with APBS
- New Geometric flow API and improvements in speed (#235)
- Support for BinaryDX file format (#216)
- SOR solver added for mg-auto input file option
- DXMath improvements (#168, #216)
- Test suite improvements
- APBS build in Travis-CI
- Geometric Flow tests added
- Protein RNA tests enabled (#149)
- Intermetiate result testing (#64)
- Example READMEs onverted to markdown and updated with latest results
Bug Fixes
- OpenMPI (mg-para) functionality restored (#190)
- Fixed parsing PQR files that contained records other than ATOM and HETATM (#77, #214)
- Geometric Flow boundary indexing bug fixed
- Build fixes:
- Out of source CMake builds are again working
- Python library may be built (#372)
- CentOS 5 binary builds for glibc compatibility
- Pull requests merged
- Removed irrelevant warning messages (#378)
Notes
The following packages are treated as submodules in APBS:
- Geometric Flow has been moved to its own repository
- FETk has been cloned so that we have could effect updates
- PB-SAM lives here
We have added a chat feature for users. This can also be found from the support tab on http://www.poissonboltzmann.org/.
Known Bugs
- Travis CI Linux builds are breaking because Geometric Flow relies on C++11 and Travis boxen have an old GCC that doth not support C++11. This is also an issue for CentOS 5
- BEM is temprarily disabled due to build issues
- Geometric Flow build is currently broken on Windows using Visual Studio
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