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Update app.py
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app.py
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@@ -284,7 +284,6 @@ def display_pdb(path_to_pdb):
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allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
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'''
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def get_motif_preview(pdb_id, contigs):
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try:
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input_pdb = fetch_pdb(pdb_id=pdb_id.lower() if pdb_id else None)
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@@ -292,44 +291,39 @@ def get_motif_preview(pdb_id, contigs):
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return gr.HTML("PDB ID를 입력해주세요"), None
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parse = parse_pdb(input_pdb)
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#output_name = './rewrite_'+input_pdb.split('/')[-1]
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#writepdb(output_name, torch.tensor(parse_og['xyz']),torch.tensor(parse_og['seq']))
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#parse = parse_pdb(output_name)
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output_name = input_pdb
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return gr.HTML(f"오류가 발생했습니다: {str(e)}"), None
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def fetch_pdb(pdb_id=None):
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allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
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'''
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def get_motif_preview(pdb_id, contigs):
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try:
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input_pdb = fetch_pdb(pdb_id=pdb_id.lower() if pdb_id else None)
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return gr.HTML("PDB ID를 입력해주세요"), None
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parse = parse_pdb(input_pdb)
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output_name = input_pdb
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pdb = open(output_name, "r").read()
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view = py3Dmol.view(width=500, height=500)
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view.addModel(pdb, "pdb")
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if contigs in ['',0]:
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contigs = ['0']
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else:
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contigs = [contigs]
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print('DEBUG: ',contigs)
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pdb_map = get_mappings(ContigMap(parse,contigs))
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print('DEBUG: ',pdb_map)
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print('DEBUG: ',pdb_map['con_ref_idx0'])
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roi = [x[1]-1 for x in pdb_map['con_ref_pdb_idx']]
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colormap = {0:'#D3D3D3', 1:'#F74CFF'}
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colors = {i+1: colormap[1] if i in roi else colormap[0] for i in range(parse['xyz'].shape[0])}
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view.setStyle({"cartoon": {"colorscheme": {"prop": "resi", "map": colors}}})
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view.zoomTo()
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output = view._make_html().replace("'", '"')
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print(view._make_html())
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x = f"""<!DOCTYPE html><html></center> {output} </center></html>""" # do not use ' in this input
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return f"""<iframe height="500px" width="100%" name="result" allow="midi; geolocation; microphone; camera;
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display-capture; encrypted-media;" sandbox="allow-modals allow-forms
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allow-scripts allow-same-origin allow-popups
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allow-top-navigation-by-user-activation allow-downloads" allowfullscreen=""
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allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>""", output_name
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except Exception as e:
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return gr.HTML(f"오류가 발생했습니다: {str(e)}"), None
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def fetch_pdb(pdb_id=None):
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