From 1b3b0e8935b5d7c851edb32fa690facd61abeb56 Mon Sep 17 00:00:00 2001 From: Gerardo Tauriello <gerardo.tauriello@unibas.ch> Date: Mon, 17 Mar 2025 14:10:07 +0000 Subject: [PATCH] Edit validation README for ModelCIF 1.4.7 --- validation/README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/validation/README.md b/validation/README.md index 24758bd..ad440f4 100644 --- a/validation/README.md +++ b/validation/README.md @@ -60,7 +60,7 @@ $ ### Base directory for associated files -For a ModelCIF file using the [`_ma_entry_associated_files`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Categories/ma_entry_associated_files.html) category, the validation tool tries to merge associated data into the ModelCIF file, if [`_ma_entry_associated_files.file_format`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Items/_ma_entry_associated_files.file_format.html) is `cif` and [`_ma_entry_associated_files.file_content`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Items/_ma_entry_associated_files.file_content.html) is `local pairwise QA scores`. That way the outsourced data is validated, too. +For a ModelCIF file using the [`_ma_entry_associated_files`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Categories/ma_entry_associated_files.html) category, the validation tool tries to merge associated data into the ModelCIF file, if [`_ma_entry_associated_files.file_format`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Items/_ma_entry_associated_files.file_format.html) is `cif` and [`_ma_entry_associated_files.file_content`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Items/_ma_entry_associated_files.file_content.html) is `local pairwise QA scores` or `QA metrics`. That way the outsourced data is validated, too. Command line argument `--associates-dir` (`-a`) is used to declare the base directory associated files are stored in. Inside the directory, the path must follow what is defined in [`_ma_entry_associated_files.file_url`](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Items/_ma_entry_associated_files.file_url.html). If the URL is just the file name, the file must be stored right in the associates directory. The following example works for `_ma_entry_associated_files.file_url model_pae.cif` (`grep` and `ls` are just used to illustrate the data situation) -- GitLab