npm

coordgen

2D coordinate generation for chemical structures from Schrodinger

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About

Schrodinger-developed 2D Coordinate Generation

Commands

coordgen

Examples

Generate 2D coordinates for a molecule from SMILES$ coordgen -i molecule.mol -o molecule_2d.mol
Process multiple structure files with coordinate generation$ coordgen -i input.sdf -o output.sdf
Display help and available options$ coordgen -h