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

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. 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

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