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lhatsk / AlphaLink

AlphaLink: Integrating crosslinking MS data into OpenFold
Apache License 2.0
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Wrong array shape when using single crosslink record #12

Closed georgkempf closed 1 year ago

georgkempf commented 1 year ago

Input with a single crosslink record is not reshaped properly at this line https://github.com/lhatsk/AlphaLink/blob/0557e6fe2b281b3ae6ec43711ab43825cc9d0bd4/predict_with_crosslinks.py#L288

Instead of if len(links.shape) == 0: links = np.array([links]) it should be if len(links.shape) == 1: links = np.array([links])

lhatsk commented 1 year ago

Thanks for pointing this out! It's fixed now.