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, 309🔥, 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, 944🔥, 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, 1689🔥, 2💬
SDF (Structure Data File)
This chapter provides quick introductions about molecules, molecular formula, atomic bonds and molecule structures. 2023-05-04, 475🔥, 1💬
💬 2023-05-04 Siobhan: This is so helpful to me. Thank you so much!
💬 2023-02-19 Herong: Markf, I will try it. Thanks!
💬 2023-02-18 Markf: You need to install the glew-devel library
Open Babel Installation Options on Linux
This section provides a quick introduction of Open Babel installation options for Linux computers. 2022-12-27, 551🔥, 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, 3422🔥, 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, 1810🔥, 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, 1340🔥, 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, 1144🔥, 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, 1123🔥, 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, 973🔥, 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, 890🔥, 0💬
Open Babel Installation Options on macOS
This section provides a quick introduction of Open Babel installation options for macOS computers. 2022-10-01, 746🔥, 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, 725🔥, 0💬
Popular Posts:
Want to know when is the 2033 Chinese New Year day? Look for free Chinese calendars for 2033? Chines...
This chapter describes some basic concepts of cryptography: what is cryptography, what is function a...
Want to know when is the 2031 Chinese New Year day? Look for free Chinese calendars for 2031? Chines...
This section describes how to retrieve CLOB values with the ResultSet.getClob() method.
Want to know when is the 2037 Chinese New Year day? Look for free Chinese calendars for 2037? Chines...