i_vorobyev
commited on
Commit
·
26ee080
1
Parent(s):
c7fbdf1
add seq
Browse files
app.py
CHANGED
@@ -14,7 +14,7 @@ def read_mol(molpath):
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return mol
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-
def molecule(input_pdb):
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mol = read_mol(input_pdb)
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@@ -58,8 +58,11 @@ def molecule(input_pdb):
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let viewer = $3Dmol.createViewer(element, config);
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viewer.addModel(pdb, "pdb");
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viewer.getModel(0).setStyle({}, {cartoon:{color:"spectrum"}});
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viewer.addSurface($3Dmol.SurfaceType.VDW, {opacity: 0.4, color: "lightblue"});
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-
viewer.addResLabels(
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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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@@ -85,7 +88,6 @@ def molecule(input_pdb):
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</div>
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"""
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-
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def validate(seq):
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alphabet = set('ACDEFGHIKLMNPQRSTVWY')
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leftover = set(seq.upper()) - alphabet
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@@ -95,6 +97,7 @@ def pred_seq(h_seq, l_seq):
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h_seq = h_seq.upper().replace(' ', '')
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l_seq = l_seq.upper().replace(' ', '')
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print(h_seq)
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h_is_valid = validate(h_seq)
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l_is_valid = validate(l_seq)
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if h_is_valid and l_is_valid:
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@@ -115,7 +118,7 @@ def pred_seq(h_seq, l_seq):
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do_renum=False
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)
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html = molecule(pred_pdb)
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else:
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html = "<p>ERROR! Not valid sequence</p>"
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return mol
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+
def molecule(input_pdb, h_seq, l_seq):
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mol = read_mol(input_pdb)
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let viewer = $3Dmol.createViewer(element, config);
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viewer.addModel(pdb, "pdb");
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viewer.getModel(0).setStyle({}, {cartoon:{color:"spectrum"}});
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+
viewer.setStyle({chain: 'H'}, {color: 'red'});
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viewer.setStyle({chain: 'L'}, {color: 'blue'});
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viewer.addSurface($3Dmol.SurfaceType.VDW, {opacity: 0.4, color: "lightblue"});
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+
viewer.addResLabels("""+h_seq+""", {chain: 'H'});
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+
viewer.addResLabels("""+l_seq+""", {chain: 'L'});
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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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</div>
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"""
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def validate(seq):
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alphabet = set('ACDEFGHIKLMNPQRSTVWY')
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leftover = set(seq.upper()) - alphabet
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h_seq = h_seq.upper().replace(' ', '')
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l_seq = l_seq.upper().replace(' ', '')
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print(h_seq)
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+
print(l_seq)
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h_is_valid = validate(h_seq)
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l_is_valid = validate(l_seq)
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if h_is_valid and l_is_valid:
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do_renum=False
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)
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+
html = molecule(pred_pdb, h_seq, l_seq)
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else:
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html = "<p>ERROR! Not valid sequence</p>"
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