Tutorial Books:
"obabel -L formats" - List of File Formats Supported
This section provides a list of molecule file formats supported by Open Babel obtained by the 'obabel -L formats' command. 2023-11-28, 250🔥, 2💬
What Is Canonical SMILES
This section provides a quick introduction of Canonical SMILES, uniquely identifies each molecule structure with single unique SMILE string. 2023-11-02, 707🔥, 1💬
RDKit Substructure Search with SMARTS
This section provides a tutorial example on how to perform substructure search with a MARTS parttern using RDKit library. 2023-10-27, 1439🔥, 2💬
Open Babel Installation Options on Linux
This section provides a quick introduction of Open Babel installation options for Linux computers. 2022-12-27, 468🔥, 1💬
Zoom In and Out on PyMol
This section provides a tutorial on how to zoom in and out the viewing window on PyMol. 2022-11-20, 2858🔥, 2💬
"obabel -h/-d" - Add/Remove Hydrogens in Molecule Data
This section provides a tutorial example on how to add or remove implicit hydrogen atoms in molecule data using Open Babel 'obabel' command. 2022-10-01, 1234🔥, 0💬
RDKit m.HasSubstructMatch(s) - Substructure Match
This section provides a tutorial example on how to perform substructure match with the m.HasSubstructMatch(s) method in RDKit library. 2022-10-01, 1075🔥, 0💬
Install Open Babel on Windows Computers
This section provides a tutorial example on how to install Open Babel on a Windows computer. 2022-10-01, 901🔥, 0💬
Molecule Similarity Based on Fingerprints with RDKit
This section provides a tutorial example on calculating molecule simularity based fingerprints using RDKit library. 2022-10-01, 763🔥, 0💬
Install Open Babel 2.4.1 from Source Code
This section provides a tutorial example on how to install Open Babel 2.4.1 from source code on CentOS 8 computers. 2022-10-01, 747🔥, 0💬
R-Group Decomposition with RDKit
This section provides a tutorial example on R-Group decompositions using RGroupDecompose() function in RDKit library. 2022-10-01, 629🔥, 0💬
Open Babel Installation Options on macOS
This section provides a quick introduction of Open Babel installation options for macOS computers. 2022-10-01, 500🔥, 0💬
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