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Commit dd2de661 authored by Bienchen's avatar Bienchen
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Update README.md

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# Translate ColabFold PDB files into ModelCIF
This Git repo holds a (containerised) application to format [PDB](http://www.wwpdb.org/documentation/file-format-content/format33/v3.3.html) files together with some extra data into [ModelCIF](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) files. Its primary target are [ColabFold](https://colabfold.mmseqs.com) projects, so together with the input PDB file, the ColabFold configuration is needed and scores.
This Git repository holds a (containerised) application to format [PDB](http://www.wwpdb.org/documentation/file-format-content/format33/v3.3.html) files together with some extra data into [ModelCIF](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) files. Its primary target are [ColabFold](https://colabfold.mmseqs.com) projects, so together with the input PDB file, the ColabFold configuration is needed and scores.
The actual translation script uses [OpenStructure](https://openstructure.org) to deal with some of the biological/ chemical data. To spare you the installation process, we provide a Docker container ready to convert your data.
The actual translation script uses [OpenStructure](https://openstructure.org) to deal with some of the biological/ chemical data. To spare you the installation process, we provide a [Docker container](https://www.docker.com) ready to convert your data.
[[_TOC_]]
## Get the translation app
There are two ways to get the Docker container: pull it from our [GitLab registry](https://git.scicore.unibas.ch/schwede/ma-wilkins-import/container_registry) or build it from the [Dockerfile](Dockerfile) in this Git repository.
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- pull from GitLab registry
- build from Dockerfile
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## Run the translation app
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- Docker command
- volumes
- output (cif files and score files)
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## Troubleshooting
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- file permissions
- build with your user ID
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