Autodesk / Autodesk/notebook-molecular-visualization
Can atom indices be altered?
- Dominant language
- Python
- Stars
- 88
- Forks
- 21
- PR merge metrics
- No merged PRs in 30d
Description
A question regarding this awesome tool: I'm trying to represent a chemical reaction in 3D with atom indices. I'd like the 2nd reactant, for example, to have consecutive atom indices and not start from 0 (start from some given `n`). Can this be facilitated with this or a similar tool (like py3dmol)? Thanks
Contributor guide
Research direction
Start by reviewing the notebook-molecular-visualization interface for representing multiple reactants and inspect how atom indices are passed to the 3D viewer. Compare the requested offset behavior with py3dmol and the project's 3DMol.js integration. Done means determining whether nonzero starting indices are supported and documenting or implementing a clear path if they are not.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- d3js, jupyter-notebook, python
- Domain
- computer-graphics
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100