Autodesk / Autodesk/notebook-molecular-visualization

Can atom indices be altered?

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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

Open the contributing 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

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