pkeller / mmcif_pdbx

wwPDB PDBx/mmCIF Dictionary

mmcif_pdbx

This repository houses the dictionaries used by the wwPDB for maintaining the archive.

There are two dictionaries in use at this time:

1. mmcif_pdbx_v5_next.dic is the internal dictionary in use by the wwPDB deposition system. This dictionary also contains extensions currently under development.

2. mmcif_pdbx_v50.dic is the dictionary used to support the public archive.

The dictionaries are created by appending the different components (header, base, extensions) use the script scripts/Build.sh using as an argument the basename of the dictionary (e.g. mmcif_pdbx_v5_next). A Makefile is provided at the top level as well.

mmcif_pdbx's Issues

Upcoming consolidation commit

Consolidation actions still needed on the contents of extensions/gphl-proc-extension.dic or successor files:

• Reword reference to orthogonalisation convention in descriptions of items that are components of vectors
• Add missing units to various non-dimensionless items
• Move components of unit vectors to new unit_vector subgroup as appropriate
• Fix whitespace issues that have got away (convert tabs to spaces, remove EOL spaces/tabs)
• Make sure that the contents of "dist" are up-to-date (run "make")