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Merge pull request #316 from Steinbeck-Lab/chore-docs-update
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Chore docs update - documented download of 2D and 3D SDFs
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CS76 authored Dec 12, 2024
2 parents 762b366 + 81295ad commit a50c181
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1 change: 1 addition & 0 deletions docs/.vitepress/config.mts
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Expand Up @@ -52,6 +52,7 @@ export default defineConfig({
{ text: 'Versions', link: '/versions' },
{ text: 'Data', link: '/data-base' },
{ text: 'Use Cases', link: '/use-cases' },
{ text: '2D/3D SDFs', link: '/2d-3d-sdfs' },
]
},
{
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30 changes: 30 additions & 0 deletions docs/2d-3d-sdfs.md
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# Download idividual 2D and 3D SDFs for each molecule

COCONUT provides users with options to download 2D and 3D coordinates data in SDF format. These are generated using RDKit. The name of the file would be the COCONUT Identifier (*Ex: CNP0228556.0.sdf*)

::: info Where to find?
Right panel of the compound page
:::

![Database Downloads](/2d-3d-sdfs.png)


<style>
table {
width: 100%;
border-collapse: collapse;
}
th, td {
border: 1px solid #ddd;
padding: 8px;
}
th {
background-color: #f2f2f2;
}
td {
text-align: left;
}
td:nth-child(1), td:nth-child(3) {
text-align: center;
}
</style>
Binary file added docs/public/2d-3d-sdfs.png
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