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Bump v1.1.0 #157

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2 changes: 1 addition & 1 deletion CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/)
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).

## 1.1.0dev - [date]
## [[1.1.0](https://github.com/nf-core/proteinfold/releases/tag/1.1.0)] - 2025-06-07

### Enhancements & fixes

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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -55,7 +55,7 @@ nextflow run nf-core/proteinfold \
--outdir <OUTDIR>
```

The pipeline takes care of downloading the required databases and parameters required by AlphaFold2, Colabfold or ESMFold. In case you have already downloaded the required files, you can skip this step by providing the path using the corresponding parameter [`--alphafold2_db`], [`--colabfold_db`] or [`--esmfold_db`]
The pipeline takes care of downloading the databases and parameters required by AlphaFold2, Colabfold or ESMFold. In case you have already downloaded the required files, you can skip this step by providing the path to the databases in parameters using the corresponding parameter [`--alphafold2_db`], [`--colabfold_db`] or [`--esmfold_db`]

- Typical command to run AlphaFold2 mode:

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2 changes: 1 addition & 1 deletion modules/local/colabfold_batch.nf
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ process COLABFOLD_BATCH {
error("Local COLABFOLD_BATCH module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_colabfold:dev"
container "nf-core/proteinfold_colabfold:1.1.0"

input:
tuple val(meta), path(fasta)
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1 change: 1 addition & 0 deletions modules/local/download_pdbmmcif.nf
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
* Download PDB MMCIF database
*/
process DOWNLOAD_PDBMMCIF {
tag "${source_url_pdb_mmcif}--${source_url_pdb_obsolete}"
label 'process_low'
label 'error_retry'

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2 changes: 1 addition & 1 deletion modules/local/mmseqs_colabfoldsearch.nf
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ process MMSEQS_COLABFOLDSEARCH {
error("Local MMSEQS_COLABFOLDSEARCH module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_colabfold:dev"
container "nf-core/proteinfold_colabfold:1.1.0"

input:
tuple val(meta), path(fasta)
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2 changes: 1 addition & 1 deletion modules/local/run_alphafold2.nf
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ process RUN_ALPHAFOLD2 {
error("Local RUN_ALPHAFOLD2 module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_standard:dev"
container "nf-core/proteinfold_alphafold2_standard:1.1.0"

input:
tuple val(meta), path(fasta)
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2 changes: 1 addition & 1 deletion modules/local/run_alphafold2_msa.nf
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ process RUN_ALPHAFOLD2_MSA {
error("Local RUN_ALPHAFOLD2_MSA module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_msa:dev"
container "nf-core/proteinfold_alphafold2_msa:1.1.0"

input:
tuple val(meta), path(fasta)
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2 changes: 1 addition & 1 deletion modules/local/run_alphafold2_pred.nf
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ process RUN_ALPHAFOLD2_PRED {
error("Local RUN_ALPHAFOLD2_PRED module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_split:dev"
container "nf-core/proteinfold_alphafold2_split:1.1.0"

input:
tuple val(meta), path(fasta)
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2 changes: 1 addition & 1 deletion nextflow.config
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Expand Up @@ -322,7 +322,7 @@ manifest {
description = """Protein 3D structure prediction pipeline"""
mainScript = 'main.nf'
nextflowVersion = '!>=23.04.0'
version = '1.1.0dev'
version = '1.1.0'
doi = '10.5281/zenodo.7629996'
}

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