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molli Case Study 2: NMR Prediction of Cladosporin
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The objective of this task is to use the `molli` workflow to transition from `.CDXML` molecular drawings to full-fledged 3D structures with subsequent CREST//GFN2-XTB conformer generation, ORCA equilibrium structure minimizations and GIAO-DFT NMR predictions.

.. toctree::
   :maxdepth: 1

   008-cladosporin.ipynb

Supplementary Script
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The following supplementary script is a part of this case study:

- `Supplementary Script: workflow.py <workflow.html>`_


.. toctree::
   :maxdepth: 1
   :hidden:

   workflow