Victor Reys
Victor Reys
You are about to submit a new Pull Request. Before continuing make sure you read the [contributing guidelines](CONTRIBUTING.md) and that you comply with the following criteria: - [X] You have...
You are about to submit a new Pull Request. Before continuing make sure you read the [contributing guidelines](CONTRIBUTING.md) and that you comply with the following criteria: - [x] You have...
**Is your feature request related to a problem? Please describe.** It is unfortunate that the current implementation of `haddock3-re clustfcc` is not allowing to generate a plot of the matrix....
Would be nice to have: - a dedicated tool the generate shape beads in a Z surface - corresponding restraints to make a protein sit flat
It would be nice to have the possibility of using openMM within haddock3 directly, for model refinements or conformation sampling.
Closes #675 . - [x] updated configuration files - [x] updated surfdrive link - [x] webapp zip archive to be loaded (surfdrive) - [x] updated performance values to match current...
Make use of new haddock3 functionalities and webapp
To solve the two improvments addressed in issue #327: 1) Dict keys have been casted to string. Tests data have been modified too. While printed in `log`, dict is converted...
To solve the one of the two improvments addressed in issue #327 : In `arctic3d-resclust`, an additional argument `--output` is now allowed: While providing the `--output=path/to/results`, the user can now...