bytedance / bytedance/Protenix

OXT atoms wrongly placed

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#282 2 comments 0 reactions 0 assignees View on GitHub
Dominant language
Python
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Description

At least up to version 1.0.9, there seems to be an issue with adding OXT atoms to the terminal residues, with incorrect connectivity (bonds are too large to be biologically feasible).
This error, however, seems to be random. It does not occur in all systems, but it does occur even within similar ones.
An example of such a system can be seen below:

Image

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Research direction

No source file, test, command, or reproducible input is named. Start by finding the code path that adds OXT atoms to terminal residues and reproduce the reported example, then verify that terminal OXT connectivity remains biologically feasible across similar systems.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
bioinformatics
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
35/100

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