sokrypton / sokrypton/ColabFold
Error while using AlphaFold for predicted structure
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Description
Dear ColabFold developers,
I faced some errors while trying to predict protein structures. Finally, I obtained a predicted structure so alphafold ran normally. However, i was not able to have the pdb file. I am just wondering if these errors will have a major effect on the prediction or not?
Thank you so much for your help,
Best regrards,
Here are the errors :
NameError Traceback (most recent call last)
in
40 # --- Search against genetic databases ---
41
---> 42 I = cf_af.prep_msa(I, msa_method, add_custom_msa, msa_format,
43 pair_mode, pair_cov, pair_qid, TMP_DIR=TMP_DIR)
44 mod_I = I
NameError: name 'cf_af' is not defined
NameError Traceback (most recent call last)
in
11 #https://github.com/markdown - qid minimum sequence identity with query (%)
12
---> 13 mod_I = cf_af.prep_filter(I, trim, trim_inverse, cov, qid)
14
15 if I["msas"] != mod_I["msas"]:
NameError: name 'cf_af' is not defined
NameError Traceback (most recent call last)
in
16 #https://github.com/markdown - For example, sequence:ABC:DEF, homooligomer: 2:1, the first protein ABC will be modeled as a homodimer (2 copies) and second DEF a monomer (1 copy).
17
---> 18 I = cf_af.prep_inputs(sequence, jobname, homooligomer, clean=IN_COLAB)
NameError: name 'cf_af' is not defined
NameError Traceback (most recent call last)
in
38
39 # prep input features
---> 40 feature_dict = cf_af.prep_feats(mod_I, clean=IN_COLAB)
41 Ls_plot = feature_dict["Ls"]
42
NameError: name 'cf_af' is not defined
in
6
7 # add settings file
----> 8 settings_path = os.path.join(I["output_dir"],"settings.txt")
9 with open(settings_path, "w") as text_file:
10 text_file.write(f"notebook=https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/beta/AlphaFold2_advanced_beta.ipynb\n")
NameError: name 'os' is not defined
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by running the AlphaFold2_advanced_beta.ipynb notebook and inspect the cells reporting that cf_af and os are undefined. Determine whether the errors prevent the predicted structure from being written, then verify whether a PDB file is produced and whether the prediction completes successfully.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook, python
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100