Arha
Arha
Definition of flexible/semi-flexible segments in refinement modules is somewhat enigmatic: One has to use parameter `nfleX` with X matching a sequential number of the molecule to be flexible, i.e. if...
You are about to submit a new Pull Request. Before continuing make sure you read the [contributing guidelines](CONTRIBUTING.md). ## Checklist - [ ] Tests added for the new code -...
## **Desired feature/enhancement** Add a rigid fragment-based protein-ssRNA doking pipeline, performed by the ATTRACT docking engine, as a sampling module of HADDOCK. ## **Motivation** 1. Introduces a dedicated docking workflow...
You are about to submit a new Pull Request. Before continuing make sure you read the [contributing guidelines](CONTRIBUTING.md). ## Checklist - [ ] Tests added for the new code -...
1. Suggest to bring a mouth for the pymol 2. During the linux session make sure students read about environmental variables, cat, nano (or vim) 3. Encourage students to not...
Check which automatic changes haddock2.4 server does for protein-peptide docking and, if needed, update haddock3 protein-peptide tutorial.
Help users to recognise when smth goes wrong in the run. Not failed run, but possibility of the incorrect results. Make a tutorial-style page with sections presenting different run results,...
In haddock2.4 advanced protein-DNA tutorial, replace current link under `documentation` to an actual documentation page describing the use of ` —pml` flag in `haddock-restraints`. Current link (https://github.com/haddocking/haddock-restraints/pull/47) points to the...
As indicated via FIXME in `libnotebooks.py`: 1. `align_full` shoukd be splitted into several smaller and (thus) more manageable functions; 2. Doscstricng placeholders should be replaces with actual funciont descriptions for...
When aligning a short reference DNA to a longer DNA model, the current capri alignement gives poor results: - Structural alignment fails; (btw this leads to a python error instead...