This directory contains three example entries which are affected by the remediation. All the affected files that are associated with the entry are provided, including:
- mmCIF entry files
- PRD and PRD-CC files
- NMR chemical shift files, molecular restraints files, NMR combined str files
- The updated CCD files that affect the entry
For comparison, the original and updated files are provided for all these files.
The tables below give an overview of these files.
6R28:
| File name | Original or Updated | File Type |
|---|---|---|
| 6R28.cif | Original | Model file |
| 6R28_updated.cif | Updated | Model file |
| 6R28_cs.str | Original | Chemical shift file |
| 6R28_cs_updated.str | Updated | Chemical shift file |
| 6R28.mr | Original | Restraints file |
| 6R28_updated.mr | Updated | Restraints file |
| 6R28_nmr-data.str | Original | NMR combined data file |
| 6R28_nmr-data_updated.str | Updated | NMR combined data file |
| HCS.cif | Original | CCD file |
| HCS_updated.cif | Updated | CCD file |
8CAR:
| File name | Original or Updated | File Type |
|---|---|---|
| 8CAR.cif | Original | Model file |
| 8CAR_updated.cif | Updated | Model file |
| data_PRD_001126.cif | Original | PRD file |
| data_PRD_001126_updated.cif | Updated | PRD file |
| data_PRDCC_001126.cif | Original | PRD-CC file |
| data_PRDCC_001126_updated.cif | Updated | PRD-CC file |
| MSE.cif | Original | CCD file |
| MSE_updated.cif | Updated | CCD file |
8ONU:
| File name | Original or Updated | File Type |
|---|---|---|
| 8ONU.cif | Original | Model file |
| 8ONU_updated.cif | Updated | Model file |
| 8ONU_cs.str | Original | Chemical shift file |
| 8ONU_cs_updated.str | Updated | Chemical shift file |
| 8ONU.mr | Original | Restraints file |
| 8ONU_updated.mr | Updated | Restraints file |
| EU0.cif | Original | CCD file |
| EU0_updated.cif | Updated | CCD file |