Cheminformatics Tutorials Herong S Tutorial Examples
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Mac Tutorials - Herong's Tutorial Examples
This book is a collection of notes and sample codes written by the author while he was learning macOS. Topics include Macintosh OS history; macOS basic functionalities; storage file systems; reviewing resource usage on running processes; installing productivity and programming tools; installing Java and related tools; installing Apache Web server and MySQL database server; using Keychain Access to manage passwords and certificates. Updated in 2023 (Version v3.07) with minor changes. For latest updates and free sample chapters, visit https://www.herongyang.com/Mac.
Cheminformatics Tutorials - Herong's Tutorial Examples
This book is a collection of notes and tutorial examples written by the author while he was learning cheminformatics and related tools. Topics include SMILES (Simplified Molecular-Input Line-Entry System) specifications; Open Babel chemical toolbox for file format conversion; Fingerprint index files used by Open Babel for fast search; RDKit for cheminformatics and machine learning; Substructure search and decomposition with RDKit; RDKit performance on large molecule datasets; molecular fingerprints generation methods; AlphaFold as an AI system to predict protein’s 3D structure. Updated in 2024 (Version v2.03) with minor updates. For latest updates and free sample chapters, visit https://www.herongyang.com/Cheminformatics.
Molecule Tutorials - Herong's Tutorial Examples
This book is a collection of notes and tutorial examples written by the author while he was learning molecules and related tools. Topics include understanding atoms, bonds and molecules; introduction of atomic isotopes and elements; introduction of proteins and amino acids; introduction of protein kinases; molecule SDF (Structure Data File) format; generating PNG pictures from molecule SDF files; installing RDkit as molecule tool; visualizing molecule structure in 3-D with PyMol; generating molecule movie with PyMol. Updated in 2023 (Version v1.26) with minor updates. For latest updates and free sample chapters, visit https://www.herongyang.com/Molecule.