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

add element column to peak_report #12

Merged
merged 1 commit into from
May 15, 2022
Merged

add element column to peak_report #12

merged 1 commit into from
May 15, 2022

Conversation

kmdalton
Copy link
Member

I realized it is nice to be able to group peak_reports by element. This is especially important when dealing with anomalous data. Particularly, methionine and cysteine sulfurs don't have the same atom.name in gemmi.

I think this should be uncontroversial, but please let me know if I did something stupid here.

Copy link
Contributor

@dennisbrookner dennisbrookner left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Makes sense to me!

Copy link
Member

@JBGreisman JBGreisman left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

yup -- looks good to me.

@JBGreisman JBGreisman added the enhancement Improvement to existing feature label May 15, 2022
@JBGreisman JBGreisman merged commit ed8fca6 into main May 15, 2022
@JBGreisman JBGreisman deleted the peaks_holes branch May 15, 2022 15:00
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement Improvement to existing feature
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

3 participants