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Bondorder and formal charge determination for molecules
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README.md

indigo-bondorder

Bondorder and formal charge determination for molecules.

Requirements

  • CMake version >= 3.5 (An older version will probably work, you will just have to modify the minimum required version in CMakeLists.txt)
  • C++14 compilent compiler. Tested with AppleClang >= 9.0, Clang >= 3.9, GCC >= 5.5
  • [optional] Boost. The required libraries are provided from boost version 1.66.0
  • [optional] Python >= 3.4, for building the python bindings
  • [optional] Java runtime, for using the QuickBB method to generate tree decompositions. Not really worthwhile.
  • [optional] doxygen for building the (sparse) documentation

Installation

Tested on macOS and Linux. If you're on Windows, you're on your own. We have no means of testing on a Windows system.

mkdir build && cd build

cmake .. && make

make install

Examples are provided in the example directory.

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