RosettaCommons / RoseTTAFold

This package contains deep learning models and related scripts for RoseTTAFold
MIT License
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predict short fragment ERROR #61

Open pfreezer opened 3 years ago

pfreezer commented 3 years ago

Hello,

I want to use the codes to predict some short fragment (length 8), but the code cannot run with errors for both e2e and pyrosetta, the error came out at structure prediction stage with the message:

Using backend: pytorch Traceback (most recent call last): File "/home/fpan/local/RoseTTAFold/network/predict_pyRosetta.py", line 200, in pred.predict(args.a3m_fn, args.out_prefix, args.hhr, args.atab) File "/home/fpan/local/RoseTTAFold/network/predict_pyRosetta.py", line 86, in predict xyz_t, t1d, t0d = read_templates(L, ffdb, hhr_fn, atab_fn, n_templ=25) File "/home/fpan/local/RoseTTAFold/network/parsers.py", line 241, in read_templates xyz_t, qmap, t0d, t1d, ids = parse_templates(ffdb, hhr_fn, atab_fn) File "/home/fpan/local/RoseTTAFold/network/parsers.py", line 231, in parse_templates xyz = np.vstack(xyz).astype(np.float32) File "<__array_function__ internals>", line 5, in vstack File "/home/fpan/local/anaconda3/envs/RoseTTAFold/lib/python3.8/site-packages/numpy/core/shape_base.py", line 283, in vstack return _nx.concatenate(arrs, 0) File "<__array_function__ internals>", line 5, in concatenate ValueError: need at least one array to concatenate

Can anyone help me to deal with this problem?

maymoona100 commented 3 years ago

You must have messed up the e2e .sh script.just give route to folders as / weight, /pdb100, so on .and it will work well I faced the same error I resolved it this way