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

8 scipion3 mm alphafold #64

Merged
merged 35 commits into from
May 23, 2022
Merged

8 scipion3 mm alphafold #64

merged 35 commits into from
May 23, 2022

Conversation

mmmtnez
Copy link
Contributor

@mmmtnez mmmtnez commented May 20, 2022

Plugin updated with four protocols and tests to handle alphafold model prediction in scipion (process, dock, rebuild and doc--and-rebuild at the same time):

Tests:

scipion3 tests phenix.tests.test_phenix_alphafold.TestCProtProcessDockBuildPredictedAlphaFold;
scipion3 tests phenix.tests.test_phenix_alphafold.TestBProtProcessDockBuildPredictedAlphaFold;
scipion3 tests phenix.tests.test_phenix_alphafold.TestAProtProcessDockBuildPredictedAlphaFold

In addition I have fixed a problem with the path in the dock in map phenix protocoll.

Test:

scipion3 tests phenix.tests.test_protocol_dock_in_map.TestProtDockInMap

WARNING: Use phenix version 1.20

…g menu) and PhenixProtRebuildDockPredictedAlphaFold2Model and PhenixProtDockAndRebuildAlphaFold2Model (to Flexible Fitting menu)
…BvalueField, added WARNING in case the protocol fails
@sonarcloud
Copy link

sonarcloud bot commented May 20, 2022

SonarCloud Quality Gate failed.    Quality Gate failed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 61 Code Smells

0.0% 0.0% Coverage
20.1% 20.1% Duplication

@mmmtnez mmmtnez requested a review from rmarabini May 20, 2022 18:20
Copy link
Contributor

@rmarabini rmarabini left a comment

Choose a reason for hiding this comment

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

OK

@rmarabini rmarabini merged commit fa968d9 into devel May 23, 2022
@rmarabini rmarabini deleted the 8_scipion3_mm_alphafold branch May 23, 2022 07:45
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.

None yet

2 participants