Tools Molecule - Other Open Babel Commands

Other Open Babel Commands

Q

Where to find FAQ (Frequently Asked Questions) on Open Babel Commands other than the format converter?

✍: FYIcenter.com

A

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" - 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

"obrotamer" - Generate Random Rotational Isomers

"obrotate" - Rotate Dihedral Angles with SMARTS

⇒ List of Open Babel Commands

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

⇑⇑ Open Babel Tutorials

2020-11-22, 204👍, 0💬

List of Open Babel Commands
How many command line tools are provided in the Open Babel package? By default, Open Babel package provides the following command line tools: babel (obabel) - Convert chemistry and molecular modeling data files. obchiral - Print molecular chirality information. obconformer - Generate conformer coord... 2020-11-22, 207👍, 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, 205👍, 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, 204👍, 0💬

"babel" - FP2 Fingerprint Fragment Ends at Ring
What hyppens if a ring is in the molecule FP2 fragement path? In the Open Babel FP2 fingerprint algorithm, if a ring is in the fragment path, the path will end when the atom meets the same atom again in the path. In orther words, the same atom in a ring should not appear twice in the same fragment p... 2020-12-02, 187👍, 0💬

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