List of Open Babel Commands
Q
How many command line tools are provided in the Open Babel package?
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A
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 coordinates.
- obenergy - Calculate the energy for a molecule.
- obfit - Superimpose two molecules based on a pattern.
- obgen - Generate 3D coordinates for a molecule.
- obgrep - Advanced-search molecules using SMARTS.
- obminimize - Optimize the geometry, minimize the energy for a molecule.
- obprobe - Create electrostatic probe grid.
- obrotamer - Generate conformer/rotamer coordinates.
- obrotate - Batch-rotate dihedral angles matching SMARTS patterns.
2020-11-22, 3110🔥, 0💬
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