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Commit f912ed0a authored by Bienchen's avatar Bienchen
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Final fixes for human-heterodimers project.

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# Modelling protein-interactions of human proteins with experimental crosslinking information
**I.O.U. the link to the ModelArchive entry**
[Link to project in ModelArchive](https://www.modelarchive.org/doi/10.5452/ma-low-csi) (incl. background on project itself)
**I.O.U. the link to the publication**
......@@ -45,8 +45,8 @@ These models qualify as "de novo modelling".
### Usage
- The [conversion script](./translate2modelcif.py) runs on a single target (modelling project) directory, if you have multiple targets, like in a whole proteome, you need to loop over the directory and call the script for each separately
- Output can be written either to the model directory or a separated directory (`--out`)
- In this project, for each dimer only one model is stored at [ModelArchive](https://modelarchive.org/) (MA) but the other models for the same dimer are stored in a Zip archive that goes into MA with the model (`--selected_rank`)
- Output can be written either to the model directory or a separated directory (`--out-dir`)
- In this project, for each dimer only one model is stored at [ModelArchive](https://modelarchive.org/) (MA) but the other models for the same dimer are stored in a Zip archive that goes into MA with the model (`--selected-rank`)
- Following our [Docker README](../docker/README.md), the conversion can be called like this:
```terminal
$ docker run --rm -v /home/user/models:/data -t converter:latest convert2modelcif --selected_rank 1 Q9Y5J9-Q9Y5L4/
......
......@@ -27,7 +27,7 @@ from ost import io
# EXAMPLES for running:
# ost scripts/translate2modelcif.py --rank 1 --out_dir="./modelcif" \
# ost scripts/translate2modelcif.py --selected-rank 1 --out-dir="./modelcif" \
# "A0A1B0GTU1-O75152"
......@@ -46,7 +46,7 @@ def _parse_args():
+ "'<UniProtKB AC>-<UniProtKB AC>'",
)
parser.add_argument(
"--selected_rank",
"--selected-rank",
type=str,
default=None,
help="If a certain model of a modelling project is selected by rank, "
......@@ -54,7 +54,7 @@ def _parse_args():
+ "accompanying files to the selected model.",
)
parser.add_argument(
"--out_dir",
"--out-dir",
type=str,
metavar="<OUTPUT DIR>",
default="",
......
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