Description:

Web site

Eye Of Sauron aims to pierce all topological analyses looked accross critical points to the interbasin surfaces. It is a molecular visualizer that tries to satisfy the special needs of QTAIM/IQA and other emergent scalar fields topology analyses. Special focus is paid to in-home programs: Critic2 and Promolden.

Requirements:

• Cmake and (optional; recommended) CCmake.

• PkgConfig

• libxt-dev

• Boost > 1.49.

• Manually compiled VTK-7.0.0.

  1. Download it. Extract and go into the directory.
  2. Create a build directory and run ccmake .. from it. Try to compile with OpenGL2 renderer because the speed is improved over OpenGL v1.
  3. Keep track of the build path for later use.

• Manually compiled openbabel.

  1. Download openbabel 2.3.2.
  2. Copy *format.cpp to openbabel-*/src/formats/.
  3. Add the names of the files to openbabel-*/src/formats/CMakeLists.txt.
  4. Compile and install (cmake [install dir] ; make; install)

Debian 7-8

• Cmake: sudo apt-get install cmake
• CCmake: sudo apt-get install cmake-curses-gui
• Boost: sudo apt-get install libboost-dev libboost-python-dev
• PkgConfig: sudo apt-get install pkg-config
• libxt-dev: sudo apt-get install libxt-dev

Development

• cppcheck: sudo apt-get install cppcheck

Installation:

There is a compile.sh script already designed for the compiling process. Modify:

• CMakeLists.txt: Set the renderer backend according to your compilation of VTK and the paths of Openbabel.
• compile.sh. The path of VTK needs customization.

The script.py shows how to access the library from python.

Bugs:

• Axes are not shown with the OpenGL v1 renderer.

• The triangulation of interbasin surfaces often fails and several warnings appear. Just rerun the program. This usually works.

License:

Eye Of Sauron is distributed under the GPLv3 License. See LICENSE.txt for details.