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schwede
QMEAN
Commits
8537de60
Commit
8537de60
authored
2 years ago
by
B13nch3n
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Replace Docker image tag 4.2.0 with 'latest'.
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docker/README.md
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8537de60
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@@ -105,12 +105,12 @@ downloaded by either pulling it yourself or let Docker pull it first time you
run it. To actively pull, use the following command:
```
terminal
$
docker pull registry.scicore.unibas.ch/schwede/qmean:
4.2.0
4.2.0
: Pulling from schwede/qmean
$
docker pull registry.scicore.unibas.ch/schwede/qmean:
latest
latest
: Pulling from schwede/qmean
...
Digest: sha256:db53a753d46b2525051478f9fa273df2b47a69100663eb70d538b461d52743d5
Status: Downloaded newer image for registry.scicore.unibas.ch/schwede/qmean:
4.2.0
registry.scicore.unibas.ch/schwede/qmean:
4.2.0
Status: Downloaded newer image for registry.scicore.unibas.ch/schwede/qmean:
latest
registry.scicore.unibas.ch/schwede/qmean:
latest
$
```
...
...
@@ -189,7 +189,7 @@ Having everything setup, you can score `model.pdb` with SEQRES data stored in
`seqres.fasta`
using QMEANDisCo:
```
terminal
docker run --workdir $
(
pwd
)
-v
$(
pwd
)
:
$(
pwd
)
-v
<PATH_TO_LOCAL_UNICLUST>:/uniclust30
-v
<PATH_TO_LOCAL_QMTL>:/qmtl registry.scicore.unibas.ch/schwede/qmean:
4.2.0
run_qmean.py model.pdb
--seqres
seqres.fasta
docker run --workdir $
(
pwd
)
-v
$(
pwd
)
:
$(
pwd
)
-v
<PATH_TO_LOCAL_UNICLUST>:/uniclust30
-v
<PATH_TO_LOCAL_QMTL>:/qmtl registry.scicore.unibas.ch/schwede/qmean:
latest
run_qmean.py model.pdb
--seqres
seqres.fasta
```
Additionally to the mounts specified above, the current working directory
...
...
@@ -199,7 +199,7 @@ as workdir.
The following gives more details on additional command line arguments:
```
terminal
docker run registry.scicore.unibas.ch/schwede/qmean:
4.2.0
run_qmean.py --help
docker run registry.scicore.unibas.ch/schwede/qmean:
latest
run_qmean.py --help
```
<a name="singularity"></a>Singularity
...
...
@@ -208,7 +208,7 @@ docker run registry.scicore.unibas.ch/schwede/qmean:4.2.0 run_qmean.py --help
A Singularity Image can directly be pulled & build from our registry:
```
terminal
singularity build qmean_container.sif docker://registry.scicore.unibas.ch/schwede/qmean:
4.2.0
singularity build qmean_container.sif docker://registry.scicore.unibas.ch/schwede/qmean:
latest
```
Singularity allows to directly access the current working directory from within the container,
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