Tools Molecule - Using Fastsearch Fingerprint Index

Using Fastsearch Fingerprint Index

Q

Where to find FAQ (Frequently Asked Questions) on Using Fastsearch Fingerprint Index with Open Babel?

✍: FYIcenter.com

A

Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Using Fastsearch Fingerprint Index with Open Babel.

"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

"babel -i fs ... -s query_file" - Substructure Search

"babel -i fs ... -s query_file" - Exact Match Search

⇒ "babel ... -o fs" - Generate Fastsearch Index

⇐ "babel -H fpt" - Fingerprint Help Information

⇑⇑ Open Babel Tutorials

2020-05-28, 125👍, 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, 172👍, 0💬

"babel -i fs ... -s query_file" - Exact Match Search
How to perform exact match in fastsearch index file using a "babel" command? If you want to perform an exact match search using the fastsearch index file, you can use the following "babel" command syntax: babel -i fs index_file output_section -s query_file In the above command: "-i fs index_file" - ... 2020-05-25, 170👍, 0💬

"babel -i fs ... -s query_file" - Substructure Search
Why am I getting no results with "babel -i fs ... -s query_file" command? It should perform a substructure search in a fastsearch index file. According to the "babel -H fs" help document, you can perform a substructure search in a fastsearch index file with the query molecule stored in a file in any... 2020-05-25, 170👍, 0💬

"babel -i fs ... -s SMILES" - Substructure Search with Index
How to perform a substructure search using the fastsearch index file with the "babel" command? If you want to perform a substructure search using the fastsearch index file, you can use the following "babel" command syntax: babel -i fs index_file output_section -s SMILES In the above command: "-i fs ... 2020-05-25, 170👍, 0💬

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