Skip to content

Navigation Menu

Explore
By company size
By use case
By industry
View all solutions
Topics
- AI
- DevOps
- Security
- Software Development
- View all
Explore
- GitHub Sponsors
  Fund open source developers
- The ReadME Project
  GitHub community articles
Repositories
- Enterprise platform
  AI-powered developer platform
Available add-ons
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

hjkgrp / molSimplify Public

Notifications You must be signed in to change notification settings
Fork 49
Star 175

Code
Issues 7
Pull requests 1
Actions
Projects 1
Security
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Security
Insights

RMSD including initial alignment by principal moments of inertia#242

Merged

aarongarrison merged 5 commits intomainhjkgrp/molSimplify:mainfrom rmsd_inertiahjkgrp/molSimplify:rmsd_inertiaCopy head branch name to clipboard

Jun 18, 2024

+184-11

Conversation Commits5 (5)Checks Files changed

Commits

Commits on Jun 18, 2024

Adding in RMSD to do rigorous_rmsd logic after aligning about the principal moments of inertia
aarongarrison
committed
Cleaning up comments
aarongarrison
committed
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot]
committed
Adding test cases
aarongarrison
committed
Merge branch 'rmsd_inertia' of github.com:hjkgrp/molSimplify into rmsd_inertia
aarongarrison
committed

Footer

© 2025 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Docs
Contact

You can’t perform that action at this time.