Alexandre Bonvin
Alexandre Bonvin
`pdb_mkensemble` is meant to generate ensembles of models with MODEL / ENDMDL statements. `pdb_merge` should in principle not do it. But the problem is that if MODEL / ENDMDL statements...
**Describe the bug** When using `pdb_merge`, TER statement are added between the merged chains, but the END statement is missing **Expected behavior** The output PDB should end with an END...
**Is your tool request related to a problem? Please describe.** With the AlphaFold models, it would be nice to have simple tool to filter on a residue basis based on...
A feature request from a user: Would it be possible to perform a local fine search around a specific solution. Say finer rotational and translational sampling around the starting configuration...
**Is your feature request related to a problem? Please describe.** Currently the nice Alascan html plot displays `weighted delta` as label on the y axis. This is confusing. Looking at...
**Is your feature request related to a problem? Please describe.** In case of large assemblies it would be useful to be able to score the various interfaces separately. Currently we...
**Is your feature request related to a problem? Please describe.** In HPC mode (and also local mode with libparallel) the waiting time between checks of the completion of model is...
It would be good to print out in the log file at the start the version number of the used haddock3 installation Will help in supporting users.
**Is your feature request related to a problem? Please describe.** In the previous DeepRank repo we were providing the pre-trained models. These are missing here. It would improve the usability...