mirror of
https://github.com/3dmol/3Dmol.js.git
synced 2026-06-04 08:39:49 +09:00
createGrid py3Dmol example, rm debug output
This commit is contained in:
David Koes
@@ -128,7 +128,6 @@ $3Dmol.createViewer = function(element, config)
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if(!element) return;
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config = config || {};
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console.log(config)
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//try to create the viewer
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try {
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@@ -1571,7 +1571,6 @@ $3Dmol.Renderer = function(parameters) {
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}
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var aspect = width/height;
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if(this.rows != undefined && this.cols != undefined && this.row != undefined && this.col != undefined){
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console.log("divide")
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var wid = width/this.cols;
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var hei = height/this.rows;
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aspect = wid/hei;
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@@ -45,21 +45,22 @@
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {
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"collapsed": false,
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"scrolled": false
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},
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"outputs": [
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{
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"data": {
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"text/html": [
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"<div id=\"3dmolviewer_150585617977\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<div id=\"3dmolviewer_150587198139\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<script>\n",
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"if(typeof $3Dmolpromise === 'undefined') $3Dmolpromise = $.when($.getScript('https://3dmol.csb.pitt.edu/build/3Dmol.js'))\n",
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"var viewer_150585617977 = null;\n",
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"var viewer_150587198139 = null;\n",
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"$3Dmolpromise.done(function() {\n",
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"viewer_150585617977 = $3Dmol.createViewer($(\"#3dmolviewer_150585617977\"),{backgroundColor:\"white\"});\n",
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"$3Dmol.download(\"pdb:1ycr\", viewer_150585617977, {}, function() {\n",
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"\tviewer_150585617977.setStyle({\"cartoon\": {\"color\": \"spectrum\"}});\n",
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"viewer_150585617977.render();\n",
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"viewer_150587198139 = $3Dmol.createViewer($(\"#3dmolviewer_150587198139\"),{backgroundColor:\"white\"});\n",
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"$3Dmol.download(\"pdb:1ycr\", viewer_150587198139, {}, function() {\n",
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"\tviewer_150587198139.setStyle({\"cartoon\": {\"color\": \"spectrum\"}});\n",
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"viewer_150587198139.render();\n",
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"})\n",
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"});\n",
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"</script>"
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@@ -99,23 +100,25 @@
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{
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"cell_type": "code",
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"execution_count": 4,
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"metadata": {},
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"data": {
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"text/html": [
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"<div id=\"3dmolviewer_150585618142\" style=\"position: relative; width: 400px; height: 400px\">\n",
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"<div id=\"3dmolviewer_150587198285\" style=\"position: relative; width: 400px; height: 400px\">\n",
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"<script>\n",
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"if(typeof $3Dmolpromise === 'undefined') $3Dmolpromise = $.when($.getScript('https://3dmol.csb.pitt.edu/build/3Dmol.js'))\n",
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"var viewer_150585618142 = null;\n",
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"var viewer_150587198285 = null;\n",
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"$3Dmolpromise.done(function() {\n",
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"viewer_150585618142 = $3Dmol.createViewer($(\"#3dmolviewer_150585618142\"),{backgroundColor:\"white\"});\n",
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"\tviewer_150585618142.addModel(\"4\\n* (null), Energy -1000.0000000\\nN 0.000005 0.019779 -0.000003 -0.157114 0.000052 -0.012746\\nH 0.931955 -0.364989 0.000003 1.507100 -0.601158 -0.004108\\nH -0.465975 -0.364992 0.807088 0.283368 0.257996 -0.583024\\nH -0.465979 -0.364991 -0.807088 0.392764 0.342436 0.764260\\n\",\"xyz\",{\"vibrate\": {\"frames\": 10, \"amplitude\": 1}});\n",
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"\tviewer_150585618142.setStyle({\"stick\": {}});\n",
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"\tviewer_150585618142.setBackgroundColor(\"0xeeeeee\");\n",
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"\tviewer_150585618142.animate({\"loop\": \"backAndForth\"});\n",
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"\tviewer_150585618142.zoomTo();\n",
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"viewer_150585618142.render();\n",
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"viewer_150587198285 = $3Dmol.createViewer($(\"#3dmolviewer_150587198285\"),{backgroundColor:\"white\"});\n",
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"\tviewer_150587198285.addModel(\"4\\n* (null), Energy -1000.0000000\\nN 0.000005 0.019779 -0.000003 -0.157114 0.000052 -0.012746\\nH 0.931955 -0.364989 0.000003 1.507100 -0.601158 -0.004108\\nH -0.465975 -0.364992 0.807088 0.283368 0.257996 -0.583024\\nH -0.465979 -0.364991 -0.807088 0.392764 0.342436 0.764260\\n\",\"xyz\",{\"vibrate\": {\"frames\": 10, \"amplitude\": 1}});\n",
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"\tviewer_150587198285.setStyle({\"stick\": {}});\n",
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"\tviewer_150587198285.setBackgroundColor(\"0xeeeeee\");\n",
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"\tviewer_150587198285.animate({\"loop\": \"backAndForth\"});\n",
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"\tviewer_150587198285.zoomTo();\n",
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"viewer_150587198285.render();\n",
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"});\n",
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"</script>"
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],
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@@ -150,27 +153,29 @@
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{
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"cell_type": "code",
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"execution_count": 5,
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"metadata": {},
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"data": {
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"text/html": [
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"<div id=\"3dmolviewer_150585618305\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<div id=\"3dmolviewer_150587198406\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<script>\n",
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"if(typeof $3Dmolpromise === 'undefined') $3Dmolpromise = $.when($.getScript('https://3dmol.csb.pitt.edu/build/3Dmol.js'))\n",
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"var viewer_150585618305 = null;\n",
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"var viewer_150587198406 = null;\n",
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"$3Dmolpromise.done(function() {\n",
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"viewer_150585618305 = $3Dmol.createViewer($(\"#3dmolviewer_150585618305\"),{backgroundColor:\"white\"});\n",
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"\tviewer_150585618305.addModel(\"\\n RDKit 3D\\n\\n 6 6 0 0 0 0 0 0 0 0999 V2000\\n -0.9517 0.7811 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2847 1.3329 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2365 0.5518 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9517 -0.7811 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2847 -1.3329 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2365 -0.5518 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 2 0\\n 2 3 1 0\\n 3 4 2 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 1 1 0\\nM END\\n$$$$\",\"sdf\");\n",
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"\tviewer_150585618305.setStyle({\"stick\": {}});\n",
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"\tviewer_150585618305.setStyle({\"model\": 0},{\"stick\": {\"colorscheme\": \"cyanCarbon\"}});\n",
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"\tviewer_150585618305.zoomTo();\n",
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"viewer_150585618305.render();\n",
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"viewer_150587198406 = $3Dmol.createViewer($(\"#3dmolviewer_150587198406\"),{backgroundColor:\"white\"});\n",
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"\tviewer_150587198406.addModel(\"\\n RDKit 3D\\n\\n 6 6 0 0 0 0 0 0 0 0999 V2000\\n -0.9517 0.7811 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2847 1.3329 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2365 0.5518 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9517 -0.7811 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2847 -1.3329 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2365 -0.5518 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 2 0\\n 2 3 1 0\\n 3 4 2 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 1 1 0\\nM END\\n$$$$\",\"sdf\");\n",
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"\tviewer_150587198406.setStyle({\"stick\": {}});\n",
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"\tviewer_150587198406.setStyle({\"model\": 0},{\"stick\": {\"colorscheme\": \"cyanCarbon\"}});\n",
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"\tviewer_150587198406.zoomTo();\n",
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"viewer_150587198406.render();\n",
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"});\n",
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"</script>"
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],
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"text/plain": [
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"<py3Dmol.view at 0x7fc2a2d7f510>"
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"<py3Dmol.view at 0x10ca76450>"
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]
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},
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"execution_count": 5,
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@@ -206,45 +211,45 @@
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},
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{
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"cell_type": "code",
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"execution_count": 13,
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"metadata": {},
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"execution_count": 9,
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"data": {
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"text/html": [
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"<div id=\"3dmolviewer_150585633144\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<div id=\"3dmolviewer_150587225318\" style=\"position: relative; width: 640px; height: 480px\">\n",
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"<script>\n",
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"if(typeof $3Dmolpromise === 'undefined') $3Dmolpromise = $.when($.getScript('https://3dmol.csb.pitt.edu/build/3Dmol.js'))\n",
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"var viewer_150585633144 = null;\n",
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"var viewer_150587225318 = null;\n",
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"$3Dmolpromise.done(function() {\n",
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"var viewergrid_150585633144 = null;\n",
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"viewergrid_150585633144 = $3Dmol.createViewerGrid($(\"#3dmolviewer_150585633144\"),{rows: 2, cols: 2, control_all: true},{backgroundColor:\"white\"});\n",
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"viewer_150585633144 = viewergrid_150585633144[0][0];\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150585633144[0][0], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150585633144[0][1], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150585633144[1][0], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150585633144[1][1], {}, function() {\n",
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"\tviewergrid_150585633144[0][0].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150585633144[0][1].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150585633144[1][0].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150585633144[1][1].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150585633144[0][0].setStyle({\"cartoon\": {\"color\": \"white\", \"tubes\": true, \"style\": \"oval\", \"arrows\": true}});\n",
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"\tviewergrid_150585633144[0][1].setStyle({\"cartoon\": {\"color\": \"white\", \"tubes\": true, \"style\": \"oval\", \"arrows\": true}});\n",
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"\tviewergrid_150585633144[1][0].setStyle({\"cartoon\": {\"color\": \"white\", \"tubes\": true, \"style\": \"oval\", \"arrows\": true}});\n",
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"\tviewergrid_150585633144[1][1].setStyle({\"cartoon\": {\"color\": \"white\", \"tubes\": true, \"style\": \"oval\", \"arrows\": true}});\n",
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"\tviewergrid_150585633144[1][1].setStyle({\"cartoon\": {\"color\": \"spectrum\"}});\n",
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"\tviewergrid_150585633144[0][0].removeAllModels();\n",
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"\tviewergrid_150585633144[0][0].addModel(\"\\n RDKit 3D\\n\\n 6 6 0 0 0 0 0 0 0 0999 V2000\\n -0.9517 0.7811 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2847 1.3329 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2365 0.5518 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9517 -0.7811 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2847 -1.3329 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2365 -0.5518 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 2 0\\n 2 3 1 0\\n 3 4 2 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 1 1 0\\nM END\\n$$$$\",\"sdf\");\n",
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"\tviewergrid_150585633144[0][0].setStyle({\"stick\": {}});\n",
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"\tviewergrid_150585633144[0][0].zoomTo();\n",
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"\tviewergrid_150585633144[0][0].render();\n",
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"\tviewergrid_150585633144[0][1].render();\n",
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"\tviewergrid_150585633144[1][0].render();\n",
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"\tviewergrid_150585633144[1][1].render();\n",
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"viewergrid_150585633144[1][1].render();\n",
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"viewergrid_150585633144[1][0].render();\n",
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"viewergrid_150585633144[0][1].render();\n",
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"viewergrid_150585633144[0][0].render();\n",
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"var viewergrid_150587225318 = null;\n",
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"viewergrid_150587225318 = $3Dmol.createViewerGrid($(\"#3dmolviewer_150587225318\"),{rows: 2, cols: 2, control_all: false},{backgroundColor:\"white\"});\n",
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"viewer_150587225318 = viewergrid_150587225318[0][0];\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150587225318[0][0], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150587225318[0][1], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150587225318[1][0], {}, function() {\n",
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"$3Dmol.download(\"pdb:1dc9\", viewergrid_150587225318[1][1], {}, function() {\n",
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"\tviewergrid_150587225318[0][0].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150587225318[0][1].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150587225318[1][0].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150587225318[1][1].setViewStyle({\"color\": \"black\", \"width\": 0.1, \"style\": \"outline\"});\n",
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"\tviewergrid_150587225318[0][1].setStyle({\"cartoon\": {\"color\": \"white\", \"tubes\": true, \"style\": \"oval\", \"arrows\": true}});\n",
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"\tviewergrid_150587225318[1][0].setStyle({\"stick\": {\"colorscheme\": \"greenCarbon\"}});\n",
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"\tviewergrid_150587225318[1][1].setStyle({\"cartoon\": {\"color\": \"spectrum\"}});\n",
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"\tviewergrid_150587225318[0][0].removeAllModels();\n",
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"\tviewergrid_150587225318[0][0].addModel(\"\\n RDKit 3D\\n\\n 6 6 0 0 0 0 0 0 0 0999 V2000\\n -0.9517 0.7811 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2847 1.3329 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2365 0.5518 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9517 -0.7811 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2847 -1.3329 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2365 -0.5518 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 2 0\\n 2 3 1 0\\n 3 4 2 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 1 1 0\\nM END\\n$$$$\",\"sdf\");\n",
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"\tviewergrid_150587225318[0][0].setStyle({\"stick\": {}});\n",
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"\tviewergrid_150587225318[0][0].zoomTo();\n",
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"\tviewergrid_150587225318[0][0].render();\n",
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"\tviewergrid_150587225318[0][1].render();\n",
|
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"\tviewergrid_150587225318[1][0].render();\n",
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"\tviewergrid_150587225318[1][1].render();\n",
|
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"viewergrid_150587225318[1][1].render();\n",
|
||||
"viewergrid_150587225318[1][0].render();\n",
|
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"viewergrid_150587225318[0][1].render();\n",
|
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"viewergrid_150587225318[0][0].render();\n",
|
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"})\n",
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"})\n",
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"})\n",
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@@ -253,18 +258,19 @@
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"</script>"
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],
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"text/plain": [
|
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"<py3Dmol.view at 0x7fc2a2d9a810>"
|
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"<py3Dmol.view at 0x10ca88a90>"
|
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]
|
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},
|
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"execution_count": 13,
|
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"execution_count": 9,
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"metadata": {},
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"output_type": "execute_result"
|
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}
|
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],
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"source": [
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"view = py3Dmol.view(query='pdb:1dc9',linked=True,viewergrid=(2,2))\n",
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"view = py3Dmol.view(query='pdb:1dc9',linked=False,viewergrid=(2,2))\n",
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"view.setViewStyle({'style':'outline','color':'black','width':0.1})\n",
|
||||
"view.setStyle({'cartoon':{'arrows':True, 'tubes':True, 'style':'oval', 'color':'white'}})\n",
|
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"view.setStyle({'cartoon':{'arrows':True, 'tubes':True, 'style':'oval', 'color':'white'}},viewer=(0,1))\n",
|
||||
"view.setStyle({'stick':{'colorscheme':'greenCarbon'}},viewer=(1,0))\n",
|
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"view.setStyle({'cartoon':{'color':'spectrum'}},viewer=(1,1))\n",
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"view.removeAllModels(viewer=(0,0))\n",
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"view.addModel(benz,'sdf',viewer=(0,0))\n",
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@@ -276,7 +282,9 @@
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{
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||||
"cell_type": "code",
|
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"execution_count": 7,
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"metadata": {},
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||||
"metadata": {
|
||||
"collapsed": false
|
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},
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"outputs": [
|
||||
{
|
||||
"data": {
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@@ -318,7 +326,9 @@
|
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{
|
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"cell_type": "code",
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"execution_count": 8,
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"metadata": {},
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||||
"metadata": {
|
||||
"collapsed": false
|
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},
|
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"outputs": [
|
||||
{
|
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"data": {
|
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@@ -361,7 +371,9 @@
|
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{
|
||||
"cell_type": "code",
|
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"execution_count": 9,
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"metadata": {},
|
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"metadata": {
|
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"collapsed": false
|
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},
|
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"outputs": [
|
||||
{
|
||||
"data": {
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@@ -405,7 +417,9 @@
|
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{
|
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"cell_type": "code",
|
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"execution_count": 10,
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"metadata": {},
|
||||
"metadata": {
|
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"collapsed": false
|
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},
|
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"outputs": [
|
||||
{
|
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"data": {
|
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@@ -474,7 +488,7 @@
|
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"name": "python",
|
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython2",
|
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"version": "2.7.12"
|
||||
"version": "2.7.13"
|
||||
},
|
||||
"widgets": {
|
||||
"state": {},
|
||||
|
||||
Reference in New Issue
Block a user