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wengong-jin / abdockgen

MIT License
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process_data.py errors #8

Closed shatz01 closed 10 months ago

shatz01 commented 10 months ago

Hi im trying to run inference using my own data/pdbs.

When trying to make pdb's into jsons by doing for example python process_data.py 6bdz H A (6bdz is found in rabd/val_data.jsonl)

I get this error:

Traceback (most recent call last):
  File "process_data.py", line 28, in <module>
    hcoords = hcoords.reshape((len(hseq), 14, 3))
ValueError: cannot reshape array of size 9855 into shape (219,14,3)

Why is it trying to reshape hcoords which is of shape (3285, 3) into (219,14,3)? I see the 14 is hardcoded. What does it mean? (I understand 219 is the length of hseq)

shatz01 commented 10 months ago

Solved :) need to install an older version of sidechainnet: pip install "sidechainnet<1.0.0"