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ReadMe updates for Discovery Scripts #101

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CRingroseCCDC merged 1 commit into from
Oct 15, 2026
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ReadMe updates for Discovery Scripts #101

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2 changes: 2 additions & 0 deletions scripts/ReadMe.md
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Expand Up @@ -31,6 +31,8 @@ Various scripts with no specific licence requirements that may be useful for a v
|--------|-------------|

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[markdownlint] reported by reviewdog 🐶
error MD060/table-column-style Table column style [Table pipe is missing space to the left for style "compact"]

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[markdownlint] reported by reviewdog 🐶
error MD060/table-column-style Table column style [Table pipe is missing space to the left for style "compact"]

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[markdownlint] reported by reviewdog 🐶
error MD060/table-column-style Table column style [Table pipe is missing space to the right for style "compact"]

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[markdownlint] reported by reviewdog 🐶
error MD060/table-column-style Table column style [Table pipe is missing space to the right for style "compact"]

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[markdownlint-fix] reported by reviewdog 🐶

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|--------|-------------|
| -------- | ------------- |

| Find Binding Conformation | Generates idealized conformers for ligands and evaluates their RMSD to the conformation in the PDB. |
| GOLD-multi | Use the CSD Docking API and the multiprocessing module to parallelize GOLD docking. |
| Overlay to Pharmacophore | Generates a CrossMiner Pharmacophore query from a Ligand Overlay output. |
| SMILES to Docking Pipeline | Virtual Workshop on creating a pipeline to dock multiple ligands from SMILES strings. |

## Materials

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