simonduerr commited on
Commit
55fdc9a
·
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1 Parent(s): 573c733

Update app.py

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Files changed (1) hide show
  1. app.py +7 -7
app.py CHANGED
@@ -1,6 +1,7 @@
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  import os
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  import json
 
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  import gradio as gr
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  from gradio_moleculeview import moleculeview
@@ -327,23 +328,22 @@ def predict(input_mol, style, contour_level, view_str, chains):
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  chain_str = ""
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  chain_dict = json.loads(chains)
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  # sort keys in dict and add colors to chain_str
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  for chain in sorted(chain_dict.keys()):
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  chain_str += f" '{chain_dict[chain]}'"
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  if style == "Goodsell3D":
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- os.system(f"cellscape cartoon --pdb {input_mol.name} --outline residue --color_by chain --depth_shading --depth_lines --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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  elif style == "Contour":
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- os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --color_by chain --depth_contour_interval {contour_level} --colors {chain_str} --depth contours --back_outline --view view_matrix --save outline_all.svg")
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  else:
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- os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --colors {chain_str} --depth flat --back_outline --view view_matrix --save outline_all.svg")
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  #read content of file
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- print(os.stat("outline_all.svg").st_size / (1024 * 1024))
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- os.system("inkscape outline_all.svg --actions='select-all;path-simplify;export-plain-svg' --export-filename pdb_opt.svg")
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- print(os.stat("outline_all.svg").st_size / (1024 * 1024))
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- return html_output("outline_all.svg")
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  import os
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  import json
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+ import uuid
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  import gradio as gr
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  from gradio_moleculeview import moleculeview
 
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  chain_str = ""
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  chain_dict = json.loads(chains)
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+ outputfile = str(uuid.uuid4())+".svg"
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  # sort keys in dict and add colors to chain_str
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  for chain in sorted(chain_dict.keys()):
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  chain_str += f" '{chain_dict[chain]}'"
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  if style == "Goodsell3D":
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+ os.system(f"cellscape cartoon --pdb {input_mol.name} --outline residue --color_by chain --depth_shading --depth_lines --colors {chain_str} --depth flat --back_outline --view view_matrix --save {outputfile}")
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  elif style == "Contour":
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+ os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --color_by chain --depth_contour_interval {contour_level} --colors {chain_str} --depth contours --back_outline --view view_matrix --save {outputfile}")
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  else:
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+ os.system(f"cellscape cartoon --pdb {input_mol.name} --outline chain --colors {chain_str} --depth flat --back_outline --view view_matrix --save {outputfile}")
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  #read content of file
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+ os.system(f"inkscape {outputfile} --actions='select-all;path-simplify;export-plain-svg' --export-filename {outputfile.replace('.svg', '_opt.svg')}")
 
 
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+ return html_output(outputfile.replace('.svg', '_opt.svg'))
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