Tools Molecule - Open Babel Documentation and Resources

Open Babel Documentation and Resources

Q

Where can I find Open Babel documentations and resources?

✍: FYIcenter.com

A

Here is a list of links to Open Babel documentations and resources.

Open Babel Command Manuals and Tutorials - http://openbabel.org/wiki/Category:Guides

Open Babel v2.3.1 Documentation - "Open Babel, or how I learned to love the chemistry file format" at http://openbabel.org/docs/current/

Open Babel API Documentation - http://openbabel.org/api/2.3/

Open Babel Code Repository at sourceforge.net - https://sourceforge.net/projects/openbabel/

Open Babel Code Repository at github.com - https://github.com/openbabel/openbabel

Open Babel User Forum - http://forums.openbabel.org

Open Babel Web User Interface - http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter

Open Babel: An open chemical toolbox - ”Journal of Cheminformatics“ technical paper at https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-3-33

Fingerprints - Screening and Similarity - Description of Structural keys, Fingerprints and Similarity Measures at https://daylight.com/dayhtml/doc/theory/theory.finger.html

Molecular fingerprints library - List of Molecular Fingerprint Algorithms at http://www.scbdd.com/chemdes/list-fingerprints/

⇒ Running Open Babel on CentOS

⇐ Open Babel History and Releases

⇑ Introduction to Open Babel

⇑⇑ Open Babel Tutorials

2020-05-24, 169👍, 0💬

Substructure Search with Wildcard Atom "*"
How to use Wildcard Atom in a substructure search using "babel" commands? You can use "*" in a SMARTS string as a wildcard atom to represent "ANY" atom in a substructure search using "babel" commands. Here are some examples of substructure matching with a wildcard atom "*" in the molecule pattern: f... 2020-06-08, 218👍, 0💬

What Are SMARTS Expressions
What are SMARTS expressions? SMARTS expressions are divided into 3 types: 1. Atom Expressions - An expression that can be evaluated to an atom pattern using atom operations on atoms and atom expressions. An atom expression must be enclosed in square bracktes, if it is not a single simple atom symbol... 2020-06-08, 200👍, 0💬

Other Open Babel Commands
Where to find FAQ (Frequently Asked Questions) on Open Babel Commands other than the format converter? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Open Babel Commands other than the format converter. List of Open Babel Commands "obchiral" -... 2020-11-22, 176👍, 0💬

"babel -H fpt" - Fingerprint Help Information
How to get help information on Open Babel Fingerprints? You can use the "babel -H fpt" command to get help information on Open Babel Fingerprints: fyicenter$ babel -H fpt fpt Fingerprint format Generate or display molecular fingerprints. This format constructs and displays fingerprints and (for mult... 2020-11-22, 167👍, 0💬

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