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

Using a bulk solvent model when generating intensities from a reference model #2414

Merged
merged 4 commits into from
May 12, 2023

Conversation

jbeilstenedmands
Copy link
Contributor

The solvent model is an important contribution to the calculated intensities in protein crystallography, and should be included when generating intensities from a model file with mmtbx.
This change also allows setting of the k_sol and b_sol parameters, which are set to sensible default values as described in Fokine and Urzhumtsev, Acta Cryst. (2002). D58, 1387-1392

@jbeilstenedmands jbeilstenedmands merged commit fd5cbbc into dials:main May 12, 2023
@jbeilstenedmands jbeilstenedmands deleted the using_pdb_reference branch May 12, 2023 12:40
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

Successfully merging this pull request may close these issues.

2 participants