Tags: haddocking/haddock3-user-manual
Tags
Improves the user manual (#4) Improvements on the user manual: - [X] Fix description in README.md on how to compile the book - [X] Add new solution (proposed here [https://github.com/haddocking/haddock3/issues/884#issuecomment-2788053465](https://github.com/haddocking/haddock3/issues/884#issuecomment-2788053465)) to build topology and parameters for small-molecules - [X] Add description for `[prodigyprotein]` and `[prodigyligand]` scoring modules - [X] Add description for the `[openmm]` module. - [x] Added installation instruction with docker - [X] Fix equation in center of mass restraints - [x] 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 ?) - [x] Add info in `[filter]` module - [x] Add the global parameter `gen_archive` description - [x] Add the BioRxiv doi to publication List of commits: * fix how to compile on readme * new solution for ligand topology and parameters * descriptions for PRODIGY modules * description of the openmm module * adding instructions when using multiple ligands in the same docking run * Update small_mol.md * Update src/modules/scoring.md Co-authored-by: Marco Giulini <54807167+mgiulini@users.noreply.github.com> * how to add your own cns executable * adding link to docker install * how to run a haddock3 docker image * fix equations display * I follow bot orders * eidesaelpycadoc * fewfjnewifo] * more codacy fixes * adressing reviews * modify seletopclusts in preparation for haddock3 PR #1222 * Apply suggestions from code review Co-authored-by: Marco Giulini <54807167+mgiulini@users.noreply.github.com> * fix broken link * adding filtering module description * adding filter module to list of modules * adding gen_archive optional parameter description * adding docker in summary * update link to global parameters * adding link to biorxiv paper