Support #2705
mol to xyz
| Statut: | New | Début: | 30/12/2019 | |
|---|---|---|---|---|
| Priorité: | Low | Echéance: | ||
| Assigné à: | - | % réalisé: | 0% |
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| Catégorie: | - | Temps passé: | - | |
| Version cible: | - |
Description
The script looks somewhat redundant with babel and/or rdkit.
Maybe the overall workflow could also be simplified?
http://proteinsandwavefunctions.blogspot.com/2018/01/xyz2mol-converting-xyz-file-to-rdkit.html
Anyway, it is just a thought.