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Published 20 hours ago • verified publisher icon haddocking

change clustering parameters' names in haddock3 tutorials

Open mgiulini opened this issue 1 year ago • 4 comments

if PR https://github.com/haddocking/haddock3/pull/769 gets merged, some parameters' names must be changed also in the haddock3 tutorials

mgiulini avatar Jan 05 '24 08:01 mgiulini

The PR has been merged and the workflow in the tutorial now gives error that threshold does not exist in clustfcc module when uploaded to https://i-vresse-workflow-builder.netlify.app/

sverhoeven avatar Mar 19 '24 11:03 sverhoeven

Also the workflow uses expert expertise parameters which makes it harder to use in the haddock3-webapp as not everyone will have the expert or guru expertise level.

  • randremoval in rigidbody and flexref
  • tolerance in flexref

sverhoeven avatar Mar 19 '24 11:03 sverhoeven

Then we should make a note that users need expert access to run this tutorial

amjjbonvin avatar Mar 19 '24 11:03 amjjbonvin

The PR has been merged and the workflow in the tutorial now gives error that threshold does not exist in clustfcc module when uploaded to https://i-vresse-workflow-builder.netlify.app/

that's because the PR in this repo hasn't been merged

mgiulini avatar Mar 19 '24 13:03 mgiulini