b5e2bb3b11
GUI is "on" by default because that's what CMakeLists.txt suggests as default. Also improve helpers use.
20 lines
847 B
Plaintext
20 lines
847 B
Plaintext
Open Babel is a project designed to pick up where Babel left off, as a
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cross-platform program and library designed to interconvert between many
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file formats used in molecular modeling and computational chemistry.
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Features currently include:
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* A huge variety of common chemical file formats
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* Recognition of file type based on filename extension
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* SMARTS matcher
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* Flexible atom typer
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* Gasteiger partial charge calculation
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* Hydrogen addition and deletion
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* Automatic feature perception (rings, hybridization, aromaticity)
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* Multiple conformer storage within molecules
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* Command line interface development class
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* Bitvector class
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* Open-source/Free Software under the GNU General Public License
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* Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)
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WWW: https://openbabel.org/wiki/Main_Page
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