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igashov commited on
Commit
1ac1b9b
·
1 Parent(s): 4e2bd93

Update app.py

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Files changed (1) hide show
  1. app.py +21 -13
app.py CHANGED
@@ -5,30 +5,38 @@ import sys
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  HTML_TEMPLATE = '''<!DOCTYPE html>
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  <html>
 
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  <head>
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- <script src="https://3Dmol.csb.pitt.edu/build/3Dmol-min.js"></script>
 
 
 
 
 
 
 
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  </head>
 
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  <body>
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  <h1>Result:</h1>
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  {content}
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  </body>
 
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  </html>
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  '''
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  VIS_TEMPLATE = '''
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  <div id="container" class="mol-container"></div>
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  <script>
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- let ligand = "{path}"
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- let viewer = null;
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-
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- $(document).ready(function () {{
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- let element = $("#container");
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- let config = {{ backgroundColor: "white" }};
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- viewer = $3Dmol.createViewer(element, config);
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- viewer.addModel( ligand, "Molecule" )
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- viewer.getModel(1).setStyle({{stick:{{colorscheme:"magentaCarbon"}}}});
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- viewer.render();
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- })
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  </script>
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  '''
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@@ -39,7 +47,7 @@ def generate(input_file):
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  except:
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  return HTML_TEMPLATE.format(content='Error: could not open the provided file')
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- content = VIS_TEMPLATE.format(path=path)
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  return HTML_TEMPLATE.format(content=content)
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  HTML_TEMPLATE = '''<!DOCTYPE html>
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  <html>
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+
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  <head>
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+ <style>
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+ .mol-container {
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+ width: 60%;
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+ height: 400px;
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+ position: relative;
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+ }
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+ </style>
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+ <script src="http://3Dmol.csb.pitt.edu/build/3Dmol-min.js""></script>
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  </head>
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+
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  <body>
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  <h1>Result:</h1>
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  {content}
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  </body>
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+
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  </html>
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  '''
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  VIS_TEMPLATE = '''
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  <div id="container" class="mol-container"></div>
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  <script>
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+ $(function() {
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+ let element = $('#container');
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+ let config = { backgroundColor: 'orange' };
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+ let viewer = $3Dmol.createViewer( element, config );
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+ viewer.addSphere({ center: {x:0, y:0, z:0}, radius: 10.0, color: 'green' });
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+ viewer.zoomTo();
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+ viewer.render();
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+ viewer.zoom(0.8, 2000);
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+ });
 
 
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  </script>
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  '''
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  except:
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  return HTML_TEMPLATE.format(content='Error: could not open the provided file')
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+ content = VIS_TEMPLATE
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  return HTML_TEMPLATE.format(content=content)
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