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Commit 292b2e84 authored by B13nch3n's avatar B13nch3n
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Explain associated dirs

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......@@ -51,10 +51,39 @@ $ validate-mmcif-file model.cif -e
$
```
### Associated files...
### Base directory for associated files
For a ModelCIF file using the `_ma_entry_associated_files` category, the validation tool tries to merge associated data into the ModelCIF file, if `_ma_entry_associated_files.file_format` is `cif`. 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`. 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`
```bash
$ grep _ma_entry_associated_files.file_url model.cif
_ma_entry_associated_files.file_url model_pae.cif
$ ls extra
model_pae.cif
$ validate-mmcif-file -a extra model.cif
{"status":"completed","diagnosis":[],"versions":[{"title":"mmcif_pdbx_v50.dic","version":"5.358","location":"https://raw.githubusercontent.com/ihmwg/ModelCIF/a24fcfa8d6c3ceb4b6f0676bcc341ac0cd24ff1f/base/mmcif_pdbx_v50.dic"},{"title":"mmcif_ma.dic","version":"1.4.0","location":"https://raw.githubusercontent.com/ihmwg/ModelCIF/a24fcfa8d6c3ceb4b6f0676bcc341ac0cd24ff1f/dist/mmcif_ma.dic"}]}
$
```
If the URL points to a subdirectory, that must be reflected by the associates directory declared to the validation tool. The following example illustrates that the `extra` directory needs a `pae` directory storing the associated file as expected by `_ma_entry_associated_files.file_url`:
```bash
$ grep _ma_entry_associated_files.file_url model.cif
_ma_entry_associated_files.file_url pae/model_pae.cif
$ ls extra
pae
$ ls extra/pae
model_pae.cif
$ validate-mmcif-file -a extra model.cif
{"status":"completed","diagnosis":[],"versions":[{"title":"mmcif_pdbx_v50.dic","version":"5.358","location":"https://raw.githubusercontent.com/ihmwg/ModelCIF/a24fcfa8d6c3ceb4b6f0676bcc341ac0cd24ff1f/base/mmcif_pdbx_v50.dic"},{"title":"mmcif_ma.dic","version":"1.4.0","location":"https://raw.githubusercontent.com/ihmwg/ModelCIF/a24fcfa8d6c3ceb4b6f0676bcc341ac0cd24ff1f/dist/mmcif_ma.dic"}]}
$
```
- basic usage
- add version of dict validated against
- remaining options
## How to run the container
......@@ -65,5 +94,7 @@ $
# Files in this directory
<!-- LocalWords: PDBx ModelCIF TOC JSON CifCheck RCSB mmcif cif pdbx dic
<!-- LocalWords: PDBx ModelCIF TOC JSON CifCheck RCSB mmcif cif pdbx dic dir
<!-- LocalWords: url pae
-->
-->
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