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Verified Commit 95686ed0 authored by Xavier Robin's avatar Xavier Robin
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doc: give me the right command directly

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...@@ -92,18 +92,17 @@ PDB format, ligands must be provided in SDF format. ...@@ -92,18 +92,17 @@ PDB format, ligands must be provided in SDF format.
For complete documentation on using Docker with OpenStructure, For complete documentation on using Docker with OpenStructure,
[click here](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker). [click here](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker).
This section provides a quick-start guide to help you get up and running with scoring using Docker. This section provides a quick-start guide to help you get up and running with scoring using Docker.
Most docker installations require you to add `sudo` in front of the following commands.
Get the latest Docker image from the OpenStructure registry: Get the latest Docker image from the OpenStructure registry:
``` ```
docker pull registry.scicore.unibas.ch/schwede/openstructure:latest sudo docker pull registry.scicore.unibas.ch/schwede/openstructure:latest
``` ```
run one of the scoring examples, other examples need to be adapted accordingly: run one of the scoring examples, other examples need to be adapted accordingly:
``` ```
docker run --rm -v $(pwd):/home registry.scicore.unibas.ch/schwede/openstructure:latest compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score sudo docker run --rm -v $(pwd):/home registry.scicore.unibas.ch/schwede/openstructure:latest compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score
``` ```
# Singularity # Singularity
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