diff --git a/src/apps/viewer/index.ts b/src/apps/viewer/index.ts
index 823de49342c70862f92985e445933e5670a03d7f..6e37bba3f92b498cdcf413926c1d9a49792a0163 100644
--- a/src/apps/viewer/index.ts
+++ b/src/apps/viewer/index.ts
@@ -14,6 +14,7 @@ import { MAQualityAssessment } from '../../extensions/model-archive/quality-asse
import { QualityAssessmentPLDDTPreset, QualityAssessmentQmeanPreset } from '../../extensions/model-archive/quality-assessment/behavior';
import { QualityAssessment } from '../../extensions/model-archive/quality-assessment/prop';
import { Mp4Export } from '../../extensions/mp4-export';
+import { ModelExport } from '../../extensions/model-export';
import { PDBeStructureQualityReport } from '../../extensions/pdbe';
import { RCSBAssemblySymmetry, RCSBValidationReport } from '../../extensions/rcsb';
import { DownloadStructure, PdbDownloadProvider } from '../../mol-plugin-state/actions/structure';
@@ -62,6 +63,7 @@ const Extensions = {
'rcsb-validation-report': PluginSpec.Behavior(RCSBValidationReport),
'anvil-membrane-orientation': PluginSpec.Behavior(ANVILMembraneOrientation),
'g3d': PluginSpec.Behavior(G3DFormat),
+ 'model-export': PluginSpec.Behavior(ModelExport),
'mp4-export': PluginSpec.Behavior(Mp4Export),
'geo-export': PluginSpec.Behavior(GeometryExport),
'ma-quality-assessment': PluginSpec.Behavior(MAQualityAssessment),
diff --git a/src/extensions/model-export/export.ts b/src/extensions/model-export/export.ts
new file mode 100644
index 0000000000000000000000000000000000000000..a34e0adeba23747cab617befd777c627514ed219
--- /dev/null
+++ b/src/extensions/model-export/export.ts
@@ -0,0 +1,63 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { utf8ByteCount, utf8Write } from '../../mol-io/common/utf8';
+import { to_mmCIF } from '../../mol-model/structure';
+import { PluginContext } from '../../mol-plugin/context';
+import { Task } from '../../mol-task';
+import { getFormattedTime } from '../../mol-util/date';
+import { download } from '../../mol-util/download';
+import { zip } from '../../mol-util/zip/zip';
+
+export async function exportHierarchy(plugin: PluginContext, options?: { format?: 'cif' | 'bcif' }) {
+ try {
+ await _exportHierarchy(plugin, options);
+ } catch (e) {
+ plugin.log.error(`Export failed: ${e}`);
+ }
+}
+
+async function _exportHierarchy(plugin: PluginContext, options?: { format?: 'cif' | 'bcif' }) {
+ const format = options?.format ?? 'cif';
+ const { structures } = plugin.managers.structure.hierarchy.current;
+
+ const files: [name: string, data: string | Uint8Array][] = [];
+ const entryMap = new Map<string, number>();
+
+ for (const _s of structures) {
+ const s = _s.cell.obj?.data;
+ if (!s) continue;
+ if (s.models.length > 1) {
+ plugin.log.warn(`[Export] Skipping ${_s.cell.obj?.label}: Multimodel exports not supported.`);
+ }
+
+ const name = entryMap.has(s.model.entryId)
+ ? `${s.model.entryId}_${entryMap.get(s.model.entryId)! + 1}.${format}`
+ : `${s.model.entryId}.${format}`;
+ entryMap.set(s.model.entryId, (entryMap.get(s.model.entryId) ?? 0) + 1);
+ files.push([name, to_mmCIF(s.model.entryId, s, format === 'bcif', { copyAllCategories: true })]);
+ }
+
+ if (files.length === 1) {
+ download(new Blob([files[0][1]]), files[0][0]);
+ } else if (files.length > 1) {
+ const zipData: { [key: string]: Uint8Array } = {};
+ for (const [fn, data] of files) {
+ if (data instanceof Uint8Array) {
+ zipData[fn] = data;
+ } else {
+ const bytes = new Uint8Array(utf8ByteCount(data));
+ utf8Write(bytes, 0, data);
+ zipData[fn] = bytes;
+ }
+ }
+ const task = Task.create('Export Models', async ctx => {
+ return zip(ctx, zipData);
+ });
+ const buffer = await plugin.runTask(task);
+ download(new Blob([new Uint8Array(buffer, 0, buffer.byteLength)]), `structures_${getFormattedTime()}.zip`);
+ }
+}
\ No newline at end of file
diff --git a/src/extensions/model-export/index.ts b/src/extensions/model-export/index.ts
new file mode 100644
index 0000000000000000000000000000000000000000..3d9c9cfb0da189cf3747e86f529ce33d7d632d8d
--- /dev/null
+++ b/src/extensions/model-export/index.ts
@@ -0,0 +1,30 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
+import { ModelExportUI } from './ui';
+
+export const ModelExport = PluginBehavior.create<{}>({
+ name: 'extension-model-export',
+ category: 'misc',
+ display: {
+ name: 'Model Export'
+ },
+ ctor: class extends PluginBehavior.Handler<{}> {
+ register(): void {
+ this.ctx.customStructureControls.set('model-export', ModelExportUI as any);
+ }
+
+ update() {
+ return false;
+ }
+
+ unregister() {
+ this.ctx.customStructureControls.delete('model-export');
+ }
+ },
+ params: () => ({})
+});
\ No newline at end of file
diff --git a/src/extensions/model-export/ui.tsx b/src/extensions/model-export/ui.tsx
new file mode 100644
index 0000000000000000000000000000000000000000..2640c427785ef13096e8c05b7beab78aa0d5026b
--- /dev/null
+++ b/src/extensions/model-export/ui.tsx
@@ -0,0 +1,70 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { useState } from 'react';
+import { CollapsableControls, CollapsableState } from '../../mol-plugin-ui/base';
+import { Button } from '../../mol-plugin-ui/controls/common';
+import { GetAppSvg } from '../../mol-plugin-ui/controls/icons';
+import { ParameterControls } from '../../mol-plugin-ui/controls/parameters';
+import { useBehavior } from '../../mol-plugin-ui/hooks/use-behavior';
+import { PluginContext } from '../../mol-plugin/context';
+import { ParamDefinition as PD } from '../../mol-util/param-definition';
+import { exportHierarchy } from './export';
+
+export class ModelExportUI extends CollapsableControls<{}, {}> {
+ protected defaultState(): CollapsableState {
+ return {
+ header: 'Export Models',
+ isCollapsed: true,
+ brand: { accent: 'cyan', svg: GetAppSvg }
+ };
+ }
+ protected renderControls(): JSX.Element | null {
+ return <ExportControls plugin={this.plugin} />;
+ }
+}
+
+const Params = {
+ format: PD.Select<'cif' | 'bcif'>('cif', [['cif', 'mmCIF'], ['bcif', 'Binary mmCIF']])
+};
+// type ParamValue = PD.Values<typeof Params>;
+const DefaultParams = PD.getDefaultValues(Params);
+
+function ExportControls({ plugin }: { plugin: PluginContext }) {
+ const [params, setParams] = useState(DefaultParams);
+ const [exporting, setExporting] = useState(false);
+ useBehavior(plugin.managers.structure.hierarchy.behaviors.selection); // triggers UI update
+ const isBusy = useBehavior(plugin.behaviors.state.isBusy);
+ const hierarchy = plugin.managers.structure.hierarchy.current;
+
+ let label: string = 'Nothing to Export';
+ if (hierarchy.structures.length === 1) {
+ label = 'Export';
+ } if (hierarchy.structures.length > 1) {
+ label = 'Export (as ZIP)';
+ }
+
+ const onExport = async () => {
+ setExporting(true);
+ try {
+ await exportHierarchy(plugin, { format: params.format });
+ } finally {
+ setExporting(false);
+ }
+ };
+
+ return <>
+ <ParameterControls params={Params} values={params} onChangeValues={setParams} isDisabled={isBusy || exporting} />
+ <Button
+ onClick={onExport}
+ style={{ marginTop: 1 }}
+ disabled={isBusy || hierarchy.structures.length === 0 || exporting}
+ commit={hierarchy.structures.length ? 'on' : 'off'}
+ >
+ {label}
+ </Button>
+ </>;
+}
\ No newline at end of file
diff --git a/src/mol-model/structure/export/mmcif.ts b/src/mol-model/structure/export/mmcif.ts
index eb806f24670562536e68c523d15052a1043a9eb8..a6261e02a36c8d41c557599b6cf289beb49eb18f 100644
--- a/src/mol-model/structure/export/mmcif.ts
+++ b/src/mol-model/structure/export/mmcif.ts
@@ -250,10 +250,10 @@ function encode_mmCIF_categories_copyAll(encoder: CifWriter.Encoder, ctx: CifExp
}
-function to_mmCIF(name: string, structure: Structure, asBinary = false) {
+function to_mmCIF(name: string, structure: Structure, asBinary = false, params?: encode_mmCIF_categories_Params) {
const enc = CifWriter.createEncoder({ binary: asBinary });
enc.startDataBlock(name);
- encode_mmCIF_categories(enc, structure);
+ encode_mmCIF_categories(enc, structure, params);
return enc.getData();
}