Based on two user help requests, I made some changes to DaReUS-Loop (see below for details). I would like to redeploy, but since the last image was not built from the Gitlab repo, there is a chance that
things will go wrong. If Yasaman and Julien can be on stand-by, I propose to do it next week, else it will be August or September.
1.
In response to this help request
Our help page says:
In all cases, the protein structure and the protein sequence must follow exactly the same numbering scheme. For example, if the protein has residue "ALA 16", the 16th letter of the sequence (including gaps) must be "A".
However, this is wrong, as can be seen in the following code
Wrapper_DaReUS_all.py
ind = str_pos - first_ind #1
effectively, the protein is treated as if renumbered from 1. This must be updated in the help page.
In addition, the protein residue is incorrectly reported. This has been fixed in the code.
2.
In response to this help request, I made several changes, primarily to prevent error messages to be “swept under the carpet”
The Docker image is from now on called “dareus-loop” instead of “dareus-loop-gro”