<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><h2 style="font-family: Times; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">Consistent Format for Validation and Coordinate Data</h2><p style="font-family: Times; font-size: medium; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">wwPDB validation reports are now provided in PDBx/mmCIF format for all new depositions in OneDep. This change makes validation data more interoperable with the PDB archival format. Data are more logically and better organized in the PDBx/mmCIF reports, and therefore more “database-friendly” than the report in XML format. PDBx/mmCIF-format validation reports for newly released and modified entries will be distributed through the <a href="https://ftp.wwpdb.org/pub/pdb/validation_reports/" target="_blank" class="">PDB</a> and <a href="https://ftp.wwpdb.org/pub/emdb/validation_reports/" target="_blank" class="">EMDB</a> Core Archives.</p><p style="font-family: Times; font-size: medium; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">The new PDBx/mmCIF reports are easier to interpret. They contain a high-level summary and offer easier access to residue-level information. Data are provided at multiple levels: entity, chain-specific, and even at the individual residues. For example, it is more straightforward to obtain the total number of clashes. The corresponding validation dictionary is available at <a href="https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_vrpt.dic/Index/" target="_blank" class="">mmcif.wwpdb.org/dictionaries/mmcif_pdbx_vrpt.dic/Index</a>. Examples of PDBx/mmCIF validation reports for X-ray, 3DEM, and NMR are <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_wwPDB_validation-2Dmmcif-2Dexamples&d=DwMFaQ&c=-35OiAkTchMrZOngvJPOeA&r=L7-zyQ-04fFCMRqzLIOnx7H0exGZHwIQe_wMPuY600I&m=L46kvYXRsST3UGnVPNf8rNU3UQqKMyFjcXLjXyRWpGo&s=gMtw6ChEn1Xq7xPmgioFX4PPP6pUvLuraztSfOArD58&e=" target="_blank" class="">publicly available at GitHub</a>.</p><p style="font-family: Times; font-size: medium; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">PDBx/mmCIF validation reports will be provided for the full PDB and EMDB archives once archival validation recalculation is performed.</p><p style="font-family: Times; font-size: medium; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">wwPDB strongly recommends all PDB users and software developers adopt this format for future applications.</p><div class=""><br class=""></div><div class="">Source: <a href="https://www.wwpdb.org/news/news?year=2021#60aeab1f301dc46fd700221e" class="">https://www.wwpdb.org/news/news?year=2021#60aeab1f301dc46fd700221e</a></div><span style="font-family: Times; font-size: medium; font-variant-ligatures: normal; orphans: 2; widows: 2; text-decoration-thickness: initial;" class="">--</span><br class=""><br class="">
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