Published January 12, 2016
| Version apbs-1.4.2.1
Software
Open
apbs-pdb2pqr: APBS 1.4.2.1
Creators
- 1. Pacific Northwest National Laboratory
- 2. SCI Institute
- 3. Pacific Northwest National Laboratory and Brown University
- 4. PNNL
- 5. Gentoo Linux
Description
APBS 1.4.2.1 CHANGELOG These are notes for APBS version 1.4.2.1.
- Binary releases may be found on GitHub and on SourceForge.
- Actually included PB-AM binary, examples and documentation -- note that this is Linux and OS X only!
- Fixed Windows build so that it is not a Debug build, and ensured that no DLLs are missing
- Poisson-Boltzmann Semi-Analytical Method (PB-AM) packaged and built with APBS
- the binary is called mpe and colocated with the apbs binary
- documentation is with the APBS documentation, and called PBE_Manual_V1.docx
- examples are located with APBS examples in a pb-am directory
- 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
- 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)
The following packages are treated as submodules in APBS:
- Geometric Flow has been moved to it's own repository
- FETk has been cloned so that we have could effect updates
- PB-SAM lives here
Added 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
Files
apbs-pdb2pqr-apbs-1.4.2.1.zip
Files
(43.9 MB)
Name | Size | Download all |
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Additional details
Related works
- Is supplement to
- https://github.com/Electrostatics/apbs-pdb2pqr/tree/apbs-1.4.2.1 (URL)