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Commit 694261c1 authored by Alexander Rose's avatar Alexander Rose
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add ModelArchive to DownloadStructure action

parent 58ce1f64
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......@@ -14,6 +14,7 @@ Note that since we don't clearly distinguish between a public and private interf
- If there are session files (.molx or .molj) among the dropped files, only the first session will be loaded
- Add ``PluginConfig.Structure.DefaultRepresentationPreset``
- Add ModelArchive schema extensions (e.g., AlphaFold uses it for the pLDDT score)
- Add ModelArchive option in DownloadStructure action
- Improve support for loading AlphaFold structures
- Automatic coloring by pLDDT
- AlphaFold DB option in DownloadStructure action
......
......@@ -74,6 +74,10 @@ const DownloadStructure = StateAction.build({
id: PD.Text('Q8W3K0', { label: 'UniProtKB AC(s)', description: 'One or more comma/space separated ACs.' }),
options
}, { isFlat: true, label: 'AlphaFold DB', description: 'Loads the predicted model if available' }),
'modelarchive': PD.Group({
id: PD.Text('ma-bak-cepc-0003', { label: 'Accession Code(s)', description: 'One or more comma/space separated ACs.' }),
options
}, { isFlat: true, label: 'Model Archive' }),
'pubchem': PD.Group({
id: PD.Text('2244,2245', { label: 'PubChem ID', description: 'One or more comma/space separated IDs.' }),
options
......@@ -140,6 +144,11 @@ const DownloadStructure = StateAction.build({
asTrajectory = !!src.params.options.asTrajectory;
format = 'mmcif';
break;
case 'modelarchive':
downloadParams = await getDownloadParams(src.params.id, id => `https://www.modelarchive.org/doi/10.5452/${id.toLowerCase()}.cif`, id => `Model Archive: ${id}`, false);
asTrajectory = !!src.params.options.asTrajectory;
format = 'mmcif';
break;
case 'pubchem':
downloadParams = await getDownloadParams(src.params.id, id => `https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/CID/${id.trim()}/record/SDF/?record_type=3d`, id => `PubChem: ${id}`, false);
asTrajectory = !!src.params.options.asTrajectory;
......
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