Open Babel Tutorials
Where to find FAQ (Frequently Asked Questions) on Open Babel, Chemistry Toolbox? I want to learn more about Open Babel.
✍: FYIcenter.com
Here is a large collection of tutorials to answer many frequently asked questions
compiled by FYIcenter.com team on
Open Babel, Chemistry Toolbox:
What Is Open Babel, Chemistry Toolbox
Open Babel Installation Options on CentOS
"DNF/YUM search" - No Open Babel Binary Package
Search Open Babel RPM Packages for CentOS
Install Open Babel Library RPM Package for CentOS
Open Babel Installation Options on macOS
Install Open Babel Binary Package on macOS
Understanding "babel" Command Line Syntax
"babel" Command - Input Data Source and Format
"babel" Command - Output Data Destination and Format
"babel" Command - Use "-o ..." as Output Delimiter
"babel" Command - From STDIN To STDOUT
"babel -... --..." Command - Generic Conversion Options
"babel" Command Option Argument Syntax
"babel ... -f # -l #" - Split Large Molecule File
"babel -h" Command - Add Hydrogens to Molecule Data
"babel -d" Command - Delete Hydrogens from Molecule Data
"babel --append ..." Command - Calculate Molecule Properties
List of File Formats Supported by Open Babel
"babel -a..." Command - Extra Input Reading Options
"babel ... -o svg" - Generating SVG Pictures
"babel -o svg" Command - SVG Generation Options
Substructure Search with Open Babel
"babel -s ..." Command - Substructure Search
Substructure Search with Wildcard Atom "*"
Similarity Search with Open Babel
"babel -o fpt ..." Command - Similarity Search
Fingerprint Types Supported in Open Babel
Substructure Search with Fingerprints
Generate Fingerprint of Single Molecule
"babel -ofpt -xs" - Display Fingerprint Fragments
"babel" - FP2 Exhaustive Fingerprint Fragments
Using Fastsearch Fingerprint Index
"babel ... -o fs" - Generate Fastsearch Index
"babel -i fs ..." - Fingerprint Index Based Search
"babel -i fs ... -s ... -at n" - Top n Similarity Search
"babel -i fs ... -s ... -at score_range" - Similarity Search
"Difficulty opening ..." Error Using Fastsearch Index
"babel -i fs ... -s SMILES" - Substructure Search with Index
"obchiral" - Print Chirality Information
"obconformer" - Generate Best Conformer
"obenergy" - Calculate Molecule Energy
"obfit" - Superimpose Two Molecules
"obgen" - Generate Molecule 3D Structures
"obgrep" - Search Molecules using SMARTS
"obminimize" - Optimize Geometry/Energy of Molecule
"obprobe" - Create Electrostatic Probe Grid
Copyright © 2020 FYIcenter.com. All rights reserved. v1.03
2020-05-21, 124👍, 0💬
Related Topics:
