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Update README.md
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rdk authored Nov 14, 2024
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Expand Up @@ -115,8 +115,8 @@ prank predict -c alphafold test.ds # use alphafold config and model (confi
* Use `-vis_renderers 'pymol,chimerax'` to toggle specific renderers on/off.
* Use `-vis_copy_proteins 0` to prevent copying protein structures to the visualizations directory (faster, but visualizations won't be portable).
* **SAS points data**: coordinates and ligandability scores for solvent-accessible surface (SAS) points are saved in `visualizations/data/{struct_file}_points.pdb.gz`. Here:
* Residue sequence number (position 23-26 in the HETATM record) represents the pocket rank (with 0 indicating no pocket).
* B-factor column indicates the ligandability score.
* Residue sequence number (position 23-26) represents the pocket rank (0 indicates no pocket).
* B-factor column contains predicted ligandability score.


### Configuration
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