Getting APBS¶
Note
Before you begin! APBS funding is dependent on your help for continued development and support. Please register before using the software so we can accurately report the number of users to our funding agencies.
Web servers¶
Most functionality is available through our online web servers.
The web server offers a simple way to use both APBS and PDB2PQR without the need to download and install additional programs.
After registering, please visit http://server.poissonboltzmann.org/ to access the web server.
Installing from pre-compiled binaries¶
The best way to install APBS is via download of a pre-compiled binary from GitHub releases (after registering, of course).
Requirements¶
The pre-compiled binaries include nearly all dependencies. There are a few items to be aware of:
Windows * Python 3.9
Linux * Ubuntu or compatible flavor of Linux * Compatible glibc
- Binaries were built with Ubuntu 20.04 with glibc version 2.31
- Binaries have been tested successfully under Ubuntu 20.04, 21.10, and 22.04
- Binaries have been tested unsuccessfully under Ubuntu 18.04
Caution
On Linux you may need to set your LD_LIBRARY_PATH and PATH environment variables: For example, in bash with APBS installed in $HOME/apbs, you would set the environment variables in your .bashrc like: .. code-block:: bash
export LD_LIBRARY_PATH=$HOME/apbs/lib:${LD_LIBRARY_PATH} export PATH=$HOME/apbs/bin:${PATH}
What’s in the box?¶
The binary distributions typically provide the following contents:
- bin
- contains the main APBS executable
- include
- header files for building software that calls APBS
- lib
- libraries for building software that calls APBS
- share/apbs/docs
- the APBS documentation
- share/apbs/examples
- APBS examples
- share/apbs/tests
- the APBS test suite
- share/apbs/tools
- useful programs to help process APBS input and output
Installing from source code¶
Those who enjoy an adventure can download the source code from GitHub releases and install from source code following the directions at the link below:
Current platform support¶
OS | PYTHON VERSION | GEOFLOW | BEM, NanoShaper | FETK | PBSAM | PBAM | PYTHON SUPPORT | SHARED_LIBS |
---|---|---|---|---|---|---|---|---|
Ubuntu | 3.9 | Yes | Yes | Yes | No | No | Yes | No |
MacOSX | 3.9 | Yes | Yes | Yes | No | No | Yes | No |
Windows 10 | 3.9 | Yes | Yes | Yes | No | No | Yes | No |