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

2021-01-09, 232👍, 0💬

"babel" Command Option Argument Syntax
How to write "babel" command option argument properly? What's the difference between "-isdf" and "-i sdf"? There is no difference between "-isdf" and "-i sdf". Both are valid "babel" option "-i" with an argument of "sdf". If a "babel" command option takes an argument, you can specify the argument in... 2020-12-26, 252👍, 0💬

"babel --append ..." Command - Calculate Molecule Properties
How to use "babel --append ..." command to calculate Molecule Properties? The "--append ..." option of the "babel" command can be used to copy existing molecule properties from the input data source, and append them to the "title" field of output molecules. But the "--append ..." option can also be ... 2020-12-26, 247👍, 0💬

Substructure Search with SMARTS Expressions
How to use SMARTS expressions in a substructure search using "babel" commands? You can use SMARTS expressions in the "-s ..." option in "babel" commands to filter molecules that match given SMARTS expressions. Here are some examples: # C, C and O connected with single bonds fyicenter$ obabel "-:c1cc... 2021-01-09, 235👍, 0💬

Open Babel Documentation and Resources
Where can I find Open Babel documentations and resources? Here is a list of links to Open Babel documentations and resources. Open Babel Command Manuals and Tutorials - http://openbabel.org/wiki/Cate gory:GuidesOpen Babel v2.3.1 Documentation - "Open Babel, or how I learned to love the chemistry fil... 2021-01-09, 233👍, 0💬

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