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nglviewer · Dec 8, 2024 · 69d94ed · 69d94ed
1 parent 1040b02
commit 69d94ed
Showing 1 changed file with 36 additions and 16 deletions.
diff --git a/notebooks/molviewspec.ipynb b/notebooks/molviewspec.ipynb
@@ -2,26 +2,14 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 36,
    "id": "fedefdce-ce21-4c3c-90bd-27909fe17413",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "e74f2c3635cc4b89987bd72f1c25880b",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": []
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "f2dd1db95dca410fa8c99c6839f22ae0",
+       "model_id": "0a443df2c58f44bc801f8371bc11e510",
        "version_major": 2,
        "version_minor": 0
       },
@@ -38,19 +26,51 @@
     "import molviewspec as mvs\n",
     "builder = mvs.create_builder()\n",
     "# at each step, auto-complete will suggest possible actions depending on the current state of the builder\n",
-    "(\n",
-    "    builder.download(url='https://files.wwpdb.org/download/1cbs.cif')\n",
+    "(builder.download(url='https://files.wwpdb.org/download/1cbs.cif')\n",
     "    .parse(format='mmcif')\n",
     "    .assembly_structure(assembly_id='1')\n",
     "    .component()\n",
     "    .representation()\n",
+    "    .color(color='blue')\n",
     ")\n",
     "state = builder.get_state()\n",
     "\n",
     "view = widget_molstar.MolstarView()\n",
     "view.load_spec(state)\n",
     "view"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 35,
+   "id": "52cc8f60-4aa8-4978-99a4-ba0e07ac3f5f",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{'kind': 'download',\n",
+       " 'params': {'url': 'https://files.wwpdb.org/download/1cbs.cif'},\n",
+       " 'children': [{'kind': 'parse',\n",
+       "   'params': {'format': 'mmcif'},\n",
+       "   'children': [{'kind': 'structure',\n",
+       "     'params': {'type': 'assembly', 'assembly_id': '1'},\n",
+       "     'children': [{'kind': 'component',\n",
+       "       'params': {'selector': 'all'},\n",
+       "       'children': [{'kind': 'representation',\n",
+       "         'params': {'type': 'cartoon'},\n",
+       "         'children': [{'kind': 'color',\n",
+       "           'params': {'selector': 'all', 'color': 'blue'}}]}]}]}]}]}"
+      ]
+     },
+     "execution_count": 35,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "d['root']['children'][0]"
+   ]
   }
  ],
  "metadata": {