Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:
toxtests pass. Runtoxcommand inside the repository folder-test.cfgexamples execute without errors. Insideexamples/runpython run_tests.py -bCloses #818 by adding
calc_accessibilityto the restraints-related subcommands. Now the accessibility analysis can be run within haddock3 withhaddock3-restraints calc_accessibility file.pdbusing the --export_to_actpass option the exposed residues can be authomatically exported (as passive) to an .actpass file of this form, which can then be used to generate a tbl file with
haddock3-restraints active_passive_to_ambig