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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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alanliska/openbabel-for-phreeqc-plus

 
 

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This is the OpenBABEL fork used in the mobile app PHREEQC plus

Changes in this fork

  • no changes in the code

Compilation

  • arm
$ cmake .. -DCMAKE_INSTALL_PREFIX=/installation/path -DBUILD_SHARED=OFF -DENABLE_OPENMP=OFF -DCMAKE_C_COMPILER=/path/to/armv7a-linux-androideabi33-clang -DCMAKE_CXX_COMPILER=/path/to/armv7a-linux-androideabi33-clang++ -DCMAKE_EXE_LINKER_FLAGS="-static-libstdc++"
  • aarch64
$ cmake .. -DCMAKE_INSTALL_PREFIX=/installation/path -DBUILD_SHARED=OFF -DENABLE_OPENMP=OFF -DCMAKE_C_COMPILER=/path/to/aarch64-linux-android33-clang -DCMAKE_CXX_COMPILER=/path/to/aarch64-linux-android33-clang++ -DCMAKE_EXE_LINKER_FLAGS="-static-libstdc++"
  • x86
$ cmake .. -DCMAKE_INSTALL_PREFIX=/installation/path -DBUILD_SHARED=OFF -DENABLE_OPENMP=OFF -DCMAKE_C_COMPILER=/path/to/i686-linux-android33-clang -DCMAKE_CXX_COMPILER=/path/to/i686-linux-android33-clang++ -DCMAKE_EXE_LINKER_FLAGS="-static-libstdc++"
  • x86_64
$ cmake .. -DCMAKE_INSTALL_PREFIX=/installation/path -DBUILD_SHARED=OFF -DENABLE_OPENMP=OFF -DCMAKE_C_COMPILER=/path/to/x86_64-linux-android33-clang -DCMAKE_CXX_COMPILER=/path/to/x86_64-linux-android33-clang++ -DCMAKE_EXE_LINKER_FLAGS="-static-libstdc++"
$ make install

ORIGINAL DESCRIPTION:

Open Babel

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Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Ready-to-use programs, and complete programmer's toolkit
  • Read, write and convert over 90 chemical file formats
  • Filter and search molecular files using SMARTS and other methods
  • Generate 2D and 3D coordinates for SMILES, InChI and other formats
  • Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...

Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution.

For more information, check the Open Babel website.

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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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Languages

  • C++ 63.7%
  • C 32.4%
  • Python 2.0%
  • SWIG 0.7%
  • CMake 0.6%
  • HTML 0.2%
  • Other 0.4%