aksell commited on
Commit
7b3520a
·
1 Parent(s): 23666b6

Reveres ZymCTRl number coordinates

Browse files

Like it was does not match with how we read the sequnece.

hexviz/🧬Attention_Visualization.py CHANGED
@@ -154,10 +154,15 @@ if selected_model.name == ModelType.ZymCTRL:
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  # Normalize the reverse vector
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  reverse_vector_normalized = np.array(reverse_vector) / np.linalg.norm(reverse_vector)
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- coordinates = [
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- [res_1[j] + i * 2 * radius * reverse_vector_normalized[j] for j in range(3)]
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- for i in range(4)
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- ]
 
 
 
 
 
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  EC_tag = [
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  ECNumber(number=num, coordinate=coord, color=color, radius=radius)
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  for num, coord, color in zip(EC_numbers, coordinates, colors)
 
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  # Normalize the reverse vector
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  reverse_vector_normalized = np.array(reverse_vector) / np.linalg.norm(reverse_vector)
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+ # Reveres coordinates to have the first EC number be furthers from the start of the
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+ # protein like it is in the sequence with the EC serial number next to the sequence
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+ # and the EC main class at the the very start, further from the sequence.
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+ coordinates = reversed(
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+ [
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+ [res_1[j] + i * 2 * radius * reverse_vector_normalized[j] for j in range(3)]
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+ for i in range(4)
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+ ]
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+ )
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  EC_tag = [
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  ECNumber(number=num, coordinate=coord, color=color, radius=radius)
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  for num, coord, color in zip(EC_numbers, coordinates, colors)