- 
                Notifications
    
You must be signed in to change notification settings  - Fork 53
 
Added a brief intro do HADDOCK3 #514
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
Conversation
Co-authored-by: Alexandre Bonvin <alexandre.bonvin@gmail.com>
          Codecov Report
 @@           Coverage Diff           @@
##             main     #514   +/-   ##
=======================================
  Coverage   74.66%   74.66%           
=======================================
  Files         105      105           
  Lines        6926     6926           
=======================================
  Hits         5171     5171           
  Misses       1755     1755           Continue to review full report at Codecov. 
  | 
    
        
          
                docs/intro.md
              
                Outdated
          
        
      | offering new features to users who can now define custom workflows. | ||
| 
               | 
          ||
| In the previous HADDOCK2.x versions, users had access to a highly | ||
| parameterisable yet rigid simulation pipeline composed of three mandatory steps: | 
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
was "water" always mandatory in 2.x?
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Not really - may-be instead of water we can rather call it: final refinement
| To keep HADDOCK3's modules organised, we catalogued them into several | ||
| categories. But, there are no constraints on piping modules of different | ||
| categories. | ||
| 
               | 
          ||
| The main module's categories are "topology", "sampling", "refinement", | ||
| "scoring", and "analysis". There is no limit to how many modules can belong to a | ||
| category. Modules are added as developed, and new categories will be created | ||
| if/when needed. You can access the HADDOCK3 documentation page for the list of | ||
| all categories and modules. Below is a summary of the available modules: | 
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
as this is not crucial for the user, I would maybe reduce the lenght of this paragraph
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
They are for the understanding of the project and the different modules. That's how we are presenting them in talks. Let's keep it for now and let the text evolve as we read it more times in the future. Many thanks!
Co-authored-by: Marco Giulini <54807167+mgiulini@users.noreply.github.com>
Co-authored-by: Marco Giulini <54807167+mgiulini@users.noreply.github.com>
tox -e docsand open withfirefox haddock3-docs/index.html. The page will appear in the menu on the left.