This starting guide is made for use on a standard Linux machine (BASH shell). Examples are detailed below.
ESBTL uses the Boost C++ library. You may get it from the Boost website
or by installing the corresponding package file (.deb
) called libboost-all-dev
Get the archive file from here
Extract the archive :
ESBTL is an include-only library, it does not need to be installed per se.
To use it the ESBTL include
directory should be added to the CPLUS_INCLUDE_DIR
To have the library permanently added to the CPLUS_INCLUDE_DIR
, add the line above to the .bashrc
file in your home directory.
To test whether the library is working, get in the test example directory:
Generate the makefile
Try to compile the example:
If everything goes well (i.e. all the required libraries are there), you should see:
At this point you should have six newly created executable files in the directory: generic_select
corresponding to the .cpp
examples provided by the archive.
You can try them out using the provided 2cfa.pdb
pdb test file by typing:
And you'll obtain the coordinates and radii of the atoms in the pdb file (see the Examples section below section for more information).
Congratulations! ESBTL is working fine. To get started with your own code, check the examples below or the FAQ
Compiling you own code
Once you have you own .cpp
file, a CMakeLists.txt
file is needed. To compile the my.cpp
source file, the CMakeLists.txt
file should contain:
To compile your code, type:
Optional: Using ESBTL with CGAL
To use ESBTL with CGAL, the installation of CGAL is required. You can get CGAL from the CGAL website
or by installed the precompiled libcgal-dev
linux package (.deb
) for your distribution.
Once CGAL installed, try to compile the examples in the Using_CGAL
Optional: xtc file interface using the xtc library
For ESBTL to access and read xtc
files (see the advanced section in the examples directory), the xtc library (xdrfile)
should be installed. It is available from the Gromacs website
or as a package for your linux distribution xdrfile
If you have a problem when starting with ESBTL, you may also want to check the FAQ
You can also request help from the ESBTL users mailing list
They are located in the examples
directory of the distributed package.
Three types of examples are provided depending on the application purpose. For simple computations on PDB files or to develop an application the non-CGAL simple version may be used. To perform geometry computations (triangulation, Voronoi construction), CGAL is required.
These files are provided to be simple examples. For certain applications, they may certainly not be the best solution but good starting points.
Each file contains comment to illustrate how they work. Other snippets are available in the FAQ
Each directory contains a CMakeLists.txt
file to compile the whole set of examples. See the above for details on how to compile the examples.
The reference manual is available as a Doxygen documentation