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Improves the user manual #4

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Merged
merged 28 commits into from
May 7, 2025
Merged

Improves the user manual #4

merged 28 commits into from
May 7, 2025

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VGPReys
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@VGPReys VGPReys commented Apr 9, 2025

Improvements on the user manual:

  • Fix description in README.md on how to compile the book
  • Add new solution (proposed here 50.00% of output was not generated for this module and tolerance was set to 0.00%. haddock3#884 (comment)) to build topology and parameters for small-molecules
  • Add description for [prodigyprotein] and [prodigyligand] scoring modules
  • Add description for the [openmm] module.
  • Added installation instruction with docker
  • Fix equation in center of mass restraints
  • Modify [seletopclusts] top_cluster parameter to top_clusters (with an s)
  • Remove lightdock and gdock from the manual. Or find solutions to use them (e.g: in a separate conda/venv env with sys calls ?)
  • Add info in [filter] module
  • Add the global parameter gen_archive description
  • Add the BioRxiv doi to publication

@VGPReys VGPReys self-assigned this Apr 10, 2025
mgiulini
mgiulini previously approved these changes Apr 14, 2025
Co-authored-by: Marco Giulini <54807167+mgiulini@users.noreply.github.com>
@rvhonorato
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rvhonorato commented Apr 14, 2025

fyi you should not waste your time applying the linting manually - look into markdownlint and prettier, both available as extension and CLI and *do the formatting automatically (:

rvhonorato
rvhonorato previously approved these changes Apr 14, 2025
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some concepts about the docker are wrong but up to you to fix it - else lgtm

@VGPReys VGPReys merged commit 2e30a02 into main May 7, 2025
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@VGPReys VGPReys deleted the updates-09042024 branch May 7, 2025 12:58
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3 participants