Tutorial Books:
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, 3482🔥, 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, 1844🔥, 0💬
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, 1705🔥, 2💬
Download ChEMBL Database
This section provides a tutorial example on how to download and install a copy of the ChEMBL database on a local computer. 2021-09-27, 1377🔥, 4💬
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, 1364🔥, 0💬
Install Open Babel with Anaconda
This section provides a tutorial example on how to install Open Babel in an Anaconda (or Conda) environment on any computer system platform: Windows, macOS or Linux. 2022-10-01, 1177🔥, 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, 1135🔥, 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, 1001🔥, 0💬
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, 953🔥, 1💬
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, 895🔥, 0💬
Open Babel Installation Options on macOS
This section provides a quick introduction of Open Babel installation options for macOS computers. 2022-10-01, 766🔥, 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, 735🔥, 0💬
Open Babel Installation Options on Linux
This section provides a quick introduction of Open Babel installation options for Linux computers. 2022-12-27, 555🔥, 1💬
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