notebook

nglviewer · Dec 3, 2024 · 6ea7b58 · 6ea7b58
1 parent a575cc8
commit 6ea7b58
Showing 1 changed file with 137 additions and 10 deletions.
diff --git a/notebooks/molstarview.ipynb b/notebooks/molstarview.ipynb
@@ -2,10 +2,38 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 1,
    "id": "3bef2996-dfbe-4ed7-9816-da54d4a57eb0",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "9ffbadcecf2c413aa0754e80c9b08b37",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": []
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "1141c093551641e0b45f0b5f2383307d",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "MolstarView()"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
    "source": [
     "import nglview as nv\n",
     "from nglview.widget_molstar import MolstarView\n",
@@ -16,32 +44,131 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 2,
    "id": "b8df28e8-c84d-4bf8-910c-ce2483538a6e",
    "metadata": {},
    "outputs": [],
    "source": [
-    "st = nv.FileStructure(nv.datafiles.PDB)"
+    "st = nv.FileStructure(nv.datafiles.PDB)\n",
+    "view.add_structure(st)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "74bbfaa4-52ee-4d18-be9a-2b002d959940",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "'3.9.0'"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "view._molstar_version"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "970660fb-8db8-41f3-ac28-ce2730bfc516",
+   "metadata": {},
+   "source": [
+    "# Display view again"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
-   "id": "8dbe8e02-6ba0-4b17-b81a-4d14d801e30d",
+   "execution_count": 4,
+   "id": "b974147d-7761-4511-9640-0b0ec4645ac3",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "1141c093551641e0b45f0b5f2383307d",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "MolstarView()"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "view"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7afb6cdc-5bcf-4abf-9db3-cf204d624c67",
+   "metadata": {},
+   "source": [
+    "# Embed (not working properly yet)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "id": "d3267052-054f-4d51-812d-e0012e8523c9",
    "metadata": {},
    "outputs": [],
    "source": [
-    "view.add_structure(st)"
+    "view._js(\"this.getState()\")"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
-   "id": "74bbfaa4-52ee-4d18-be9a-2b002d959940",
+   "execution_count": 26,
+   "id": "5b5e6df6-a3c2-4e31-817e-cd8b4bd344b4",
    "metadata": {},
    "outputs": [],
    "source": [
-    "view._molstar_version"
+    "nv.write_html('index.html', view)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 27,
+   "id": "9fbe9a38-d165-4636-ab2d-53dd3c83b035",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "!open index.html"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 28,
+   "id": "ebe3e41b-a4cd-4ffe-be1f-a2568fa62144",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "ff10e43f5a5a48a39f6486e0af7f0d54",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "NGLWidget()"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "nv.NGLWidget(st)"
    ]
   }
  ],