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Open Babel Installation Options on Linux
This section provides a quick introduction of Open Babel installation options for Linux computers.
2022-12-27, 399🔥, 1💬

💬 2022-12-27 ion kim: I am pharmacist from South Korea. I work in Romania. I want take this software in my Linux computer. Thank you!

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, 2469🔥, 2💬

💬 2022-11-20 Anyos: thank you ! it helped me a lot!

rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DSVG - Molecule SVG Image
This section provides a quick introduction on the rdkit.Chem.Draw.rdMolDraw2D.Mo lDraw2DSVGclass, which creates 2D molecule drawings in SVG format.
2022-10-01, 1284🔥, 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.
2022-10-01, 1183🔥, 0💬

rdkit.Chem.rdFMCS - Maximum Common Substructure
This section provides a quick introduction on rdkit.Chem.rdFMCS module in RDKit library that provides functionalities to find the MCS (Maximum Common Substructure) of a set of molecules.
2022-10-01, 1070🔥, 0💬

"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, 929🔥, 0💬

MolToImage/MolToFile - Molecule PNG Image
This section provides a tutorial example on how to use rdkit.Chem.Draw.MolToImage(m) and rdkit.Chem.Draw.MolToFile(m, f) methods to generate molecule images in PNG format and store them in PIL objects or files.
2022-10-01, 928🔥, 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, 860🔥, 0💬

Molecule Substructure Search with RDKit
This chapter provides introductions and tutorial examples on substructure search with RDKit library. Topics include substructure match with HasSubstructMatch() and GetSubstructMatch() methods; using SMARTS patterms as substructures; aligning molecule orientation with substructure; finding MCS (Maxim...
2022-10-01, 855🔥, 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, 726🔥, 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, 714🔥, 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, 656🔥, 0💬

RDKit GenerateDepictionMatching2DStructure(m, s) - Substructure Orientation
This section provides a tutorial example on how to draw multiple molecules with the same orientation as a common substructure.
2022-10-01, 622🔥, 0💬

rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions - Drawing Options
This section provides a quick introduction on the rdkit.Chem.Draw.rdMolDraw2D.Mo lDrawOptionsclass, which represents a set of 2D molecule drawing options.
2022-10-01, 590🔥, 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, 590🔥, 0💬

StoneMIND Collector - Information Extraction System
This section provides a quick introduction of StoneMIND Collector, a free OCSR (Optical Chemical Structure Recognition) software provided by Stonewise.
2022-10-01, 587🔥, 0💬

What Is Canonical SMILES
This section provides a quick introduction of Canonical SMILES, uniquely identifies each molecule structure with single unique SMILE string.
2022-10-01, 565🔥, 0💬

rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DCairo - Molecule PNG Image
This section provides a quick introduction on the rdkit.Chem.Draw.rdMolDraw2D.Mo lDraw2DCairoclass, which creates 2D molecule drawings in PNG format.
2022-10-01, 560🔥, 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, 534🔥, 0💬

Drawing Diagrams with MolDraw2DCairo and MolDraw2DSVG
This section provides a tutorial example on how to use MolDraw2DCairo and MolDraw2DSVG classes to add custom diagram elements to molecule 2-D images.
2022-10-01, 510🔥, 0💬

What Is rdkit.Chem.Draw Module
This section provides a quick introduction of the core module of the RDKit library, rdkit.Chem.Draw, which functionalities to create molecule images in different formats as displaying images, internal objects, or external files.
2022-10-01, 479🔥, 0💬

SMILES (Simplified Molecular-Input Line-Entry System)
This chapter provides introductions and tutorial examples on SMILES (Simplified Molecular-Input Line-Entry System). Topics include SMILES representations for atoms, bonds, rings, disconnected structures, charges, directional bonds, isotopes, chiral centers.
2022-10-01, 405🔥, 0💬

rdkit.Chem.Draw - Handle Molecule Images
This chapter provides introductions and tutorial examples on rdkit.Chem.Draw module. Topics include introduction of rdkit.Chem.rdDepictor module; module methods to get molecule images quickly; sub-modules to draw molecule images with better controls.
2022-10-01, 399🔥, 0💬

rdkit.Chem.rdDepictor - Compute 2D Coordinates
This chapter provides introductions and tutorial examples on rdkit.Chem.rdDepictor module. Topics include introduction of rdkit.Chem.rdDepictor module and its main methods to depict a molecule in a 2 dimensional space.
2022-10-01, 383🔥, 0💬

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