Published May 5, 2024
| Version 2024.5.6
Software
Open
molssi-seamm/molsystem: Rotated molecule from SMILES, InChI, or InChIKey to standard orientation
Authors/Creators
- 1. @MolSSI
- 2. The Molecular Sciences Software Institute (@MolSSI)
- 3. University of Notre Dame
Description
- Molecules created from line notation are created in an random orientation. This enhancement rotates them to the standard orientation, which will look nice for small, symmetric molecules.
Files
molssi-seamm/molsystem-2024.5.6.zip
Files
(664.5 kB)
| Name | Size | Download all |
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md5:ae10fdf688d3b520c7685e882aac3405
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Additional details
Related works
- Is supplement to
- Software: https://github.com/molssi-seamm/molsystem/tree/2024.5.6 (URL)