From 2d7d57644b04d72c266cb0767c33e38eac124bf0 Mon Sep 17 00:00:00 2001 From: Bienchen <stefan.bienert@unibas.ch> Date: Mon, 3 Oct 2022 12:58:04 +0000 Subject: [PATCH] Started a README --- README.md | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/README.md b/README.md index e69de29..0c2a9d5 100644 --- a/README.md +++ b/README.md @@ -0,0 +1,13 @@ +# 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. + +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. + +[[_TOC_]] + +## Get the translation app + +## Run the translation app + +## Troubleshooting -- GitLab