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.

Sign up for GitHub

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

Jump to bottom

Check fasta calculations #42

Closed
pkienzle opened this issue May 13, 2021 · 3 comments
Closed

Check fasta calculations #42

pkienzle opened this issue May 13, 2021 · 3 comments

Comments

@pkienzle
Copy link
Owner

Results for fasta sequence sld estimates differ from those for the Bio SLD calculator.

See SasView/sasmeta#3
@pkienzle
Copy link
Owner Author

pkienzle commented May 13, 2021 •
edited
Loading

Provide syntax for deuteration.

For labile H we need exchange percentage (default 90%) for the protein and D₂O percentage for the solvent (default 0%). For non-labile H we need deuteration percentage (default 0%). All three percentages can be present for the same material.

Perhaps x %D y %D2O z %exch? A little confusing since %wt and %vol are used in the context of (x %vol A // y % B // C).

[Note: moved to #35]

@pkienzle
Copy link
Owner Author

pkienzle commented May 13, 2021 •
edited
Loading

See also SasView/sasview#1847

[Note: moved to #71 ]

@pkienzle
Copy link
Owner Author

Differences are described in detail in SasView/sasmeta#3. No further checking of the calculations is required here, though there may be some more tickets produced as a result of the discussion therein.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@pkienzle