sokrypton / sokrypton/ColabFold

Custom template issue

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Dominant language
Jupyter Notebook
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Description

Expected Behavior

Trying to predict a structure based on a known PDB structure. After I followed what has been suggested to create cif file on previously reported issue, error message came up "MessageError: RangeError: Maximum call stack size exceeded."

Current Behavior

MessageError: RangeError: Maximum call stack size exceeded after upload edited cif files according to the instruction listed in 2022.

Steps to Reproduce (for bugs)

1n3x.cif(n/a) - 296501 bytes, last modified: n/a - 0% done

MessageError Traceback (most recent call last)
in <cell line: 51>()
55 custom_template_path = os.path.join(jobname,f"template")
56 os.makedirs(custom_template_path, exist_ok=True)
---> 57 uploaded = files.upload()
58 use_templates = True
59 for fn in uploaded.keys():

3 frames
/usr/local/lib/python3.10/dist-packages/google/colab/_message.py in read_reply_from_input(message_id, timeout_sec)
101 ):
102 if 'error' in reply:
--> 103 raise MessageError(reply['error'])
104 return reply.get('data', None)
105

MessageError: RangeError: Maximum call stack size exceeded.

ColabFold Output (for bugs)

1n3x.cif(n/a) - 296501 bytes, last modified: n/a - 0% done

MessageError Traceback (most recent call last)
in <cell line: 51>()
55 custom_template_path = os.path.join(jobname,f"template")
56 os.makedirs(custom_template_path, exist_ok=True)
---> 57 uploaded = files.upload()
58 use_templates = True
59 for fn in uploaded.keys():

3 frames
/usr/local/lib/python3.10/dist-packages/google/colab/_message.py in read_reply_from_input(message_id, timeout_sec)
101 ):
102 if 'error' in reply:
--> 103 raise MessageError(reply['error'])
104 return reply.get('data', None)
105

MessageError: RangeError: Maximum call stack size exceeded.

Context

Tried different pdb files and converted them to

Your Environment

  • Operating system and version: MacOS

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 reproducing the custom-template upload in the Colab notebook, using the 1n3x.cif example and the upload call at cell line 57. Compare the behavior with the 2022 custom-template instructions and other PDB-derived CIF files; done means the upload no longer fails with the reported stack-overflow error or the supported input limitation is clearly identified.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook, python
Domain
bioinformatics
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
28/100

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