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Open Babel

  • 公開度：3 ★★★
  • ドキュメント充実度：3 ★★★

An open-source application for translating chemical structure format files. More than 110 formats are supported. This application is actively being developed taking into account use and construction of database and application to infomational technology in chemistry (chemoinformatics). A graphical user interface is alsp provided for Windows.

基本情報
Last Update:2024/10/10

公式サイト

http://openbabel.org/index.html

ライセンス

GNU GPL v2

利用環境

Unix/Linux, Windows, Mac OS. GUI for Windows is also provided.
関連アプリ
文献

“Open Babel: An open chemical toolbox”, N. M. O’Boyle et al., J. Cheminf. 2011 3:33
https://doi.org/10.1186/1758-2946-3-33
その他

Supported formats

Extracted from the reference given below.
・Application for quantum chemical calculation: GAMESS, Gaussian, MOPAC
・Application for visualization: Avogadro, ChemDraw, Chem3D, Molden
・Crystal structure file formate: CIF, ShelX
・File format for cheminformatics: SMILES, InChI, MOL, MOL2
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