BioPandas / BioPandas/biopandas

Renumbering residues

Open
#51 9 comments 0 reactions 0 assignees View on GitHub
enhancement
Dominant language
Python
Stars
756
Forks
120
Avg merge
23h 8m
Merged PRs (30d)
2

Description

Hi! Nice library, has a lot of potential.

Is there a way to renumber residues?
Renumbering atoms seems trivial (just assign a range to the atom_number), however renumbering residues would probably require some heavy duty group_by magic and could be built in.
(renumbering atoms could also be built in:)

Contributor guide

Open the contributing guide

Research direction

No files or tests are named. Start by locating the DataFrame handling for atom_number and residue identifiers, then review how grouping is represented in the library. Done should include a clearly defined way to renumber residues, and possibly atoms, with behavior verified against the project’s existing structure-handling tests.

Written by the indexing model from the issue text.

Assessment

Tech stack
pandas, python
Domain
bioinformatics
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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