Support #2705

mol to xyz

Added by Stephan Steinmann 10 months ago.

Status:New Start date:12/30/2019
Priority:Low Due date:
Assignee:- % Done:

0%

Category:- Spent time: -
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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.

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