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hainm committed Dec 4, 2024
1 parent 9721c30 commit 014c6b6
Showing 1 changed file with 28 additions and 40 deletions.
68 changes: 28 additions & 40 deletions notebooks/trajectory_player.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "13fe7a0340e640caac615d7c098176a3",
"model_id": "3de104bc16ba4fdba33696d94704831c",
"version_major": 2,
"version_minor": 0
},
Expand All @@ -20,7 +20,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "747cd969ad49416694cd336d3e99806f",
"model_id": "c32624f79dc1454e97a7b79f474f9dd1",
"version_major": 2,
"version_minor": 0
},
Expand Down Expand Up @@ -55,16 +55,24 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 2,
"metadata": {},
"outputs": [],
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"frame_range is not provided. Do not serialize coordinates. Default to use current frame.\n"
]
}
],
"source": [
"nv.write_html('index.html', view)"
]
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 3,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -73,7 +81,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 4,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -82,7 +90,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 5,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -98,35 +106,22 @@
},
{
"cell_type": "code",
"execution_count": 1,
"execution_count": 6,
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "9169c19f8f55401bae1667d0b37c1166",
"version_major": 2,
"version_minor": 0
},
"text/plain": []
},
"metadata": {},
"output_type": "display_data"
},
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "b773c0465d4f4b28bf1fca34861ac8ff",
"model_id": "739b42afb8224eca83241b55d30f8eec",
"version_major": 2,
"version_minor": 0
},
"text/plain": [
"MolstarView()"
]
},
"execution_count": 1,
"metadata": {},
"output_type": "execute_result"
"output_type": "display_data"
}
],
"source": [
Expand All @@ -146,34 +141,27 @@
},
{
"cell_type": "code",
"execution_count": 6,
"execution_count": 8,
"metadata": {},
"outputs": [],
"source": [
"params = {\n",
" \"type\": \"spacefill\",\n",
" \"typeParams\": { \"sizeFactor\": 0.5 },\n",
" \"color\": \"hydrophobicity\",\n",
" \"colorParams\": { \"scale\": \"DGwoct\" },\n",
"}\n",
"view._remote_call(\"addRepresentation\", args=[params, 0])"
"view.add_trajectory(traj)"
]
},
{
"cell_type": "code",
"execution_count": 2,
"execution_count": 9,
"metadata": {},
"outputs": [],
"source": [
"view.add_trajectory(traj)"
"params = {\n",
" \"type\": \"spacefill\",\n",
" \"typeParams\": { \"sizeFactor\": 0.5 },\n",
" \"color\": \"hydrophobicity\",\n",
" \"colorParams\": { \"scale\": \"DGwoct\" },\n",
"}\n",
"view._remote_call(\"addRepresentation\", args=[params, 0])"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
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