Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

R-Group definition changes when server functions are applied #711

Closed
Svetlana-Asinovskaia opened this issue Apr 19, 2022 · 1 comment
Closed
Assignees
Milestone

Comments

@Svetlana-Asinovskaia
Copy link

Steps to Reproduce

  1. Execute v2/indigo/layout with the following options:
    {smart-layout: true, ignore-stereochemistry-errors: true, mass-skip-error-on-pseudoatoms: false,…}
    aromatize-skip-superatoms: true
    gross-formula-add-isotopes: true
    gross-formula-add-rsites: true
    ignore-stereochemistry-errors: true
    mass-skip-error-on-pseudoatoms: false
    smart-layout: true

struct.zip

Expected behavior
rg28 is present in the response.

Actual behavior
Response contains rg1.

Indigo/Bingo version
Indigo Version 1.6.1.10-gd1a8a571b-x86_64-linux-gnu-10.2.1

Additional context
Reproduced with Clean Up, Aromatize, Dearomatize, Save, Structure Check functions.

@even1024
Copy link
Collaborator

Fixed in 1.7.1

@mkviatkovskii mkviatkovskii modified the milestones: indigo-1.7.1, indigo-1.8 Jun 18, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

4 participants