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schwede
QMEAN
Commits
58b04d6c
Commit
58b04d6c
authored
4 years ago
by
Studer Gabriel
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update docker calls in README
parent
28cfe252
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docker/README.md
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58b04d6c
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@@ -61,7 +61,7 @@ Additional requirements
We need the non-redundant
[
UniClust30 sequence database
](
https://uniclust.mmseqs.com/
)
to build sequence
profiles with HHblits. The following
_
files are required:
profiles with HHblits. The following
files are required:
*
X_a3m.ffdata
*
X_a3m.ffindex
...
...
@@ -106,7 +106,7 @@ 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 qmean
disco
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:4.2.0
run_
qmean
.py
model.pdb
--seqres
seqres.fasta
```
Additionally to the mounts specified above, the current working directory
...
...
@@ -116,7 +116,7 @@ as workdir.
The following gives more details on additional command line arguments:
```
terminal
docker run registry.scicore.unibas.ch/schwede/qmean:4.2.0 qmean
disco
--help
docker run registry.scicore.unibas.ch/schwede/qmean:4.2.0
run_
qmean
.py
--help
```
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