Files

Once you have specified your structure calculation software, you can upload data files.  For NMR structures you need to provide a PDB file containing the coordinates of your structural ensemble.  Additionally, you also need to supply the restraints file(s) that you used to generate this structure.  You can also supply additional data files such as chemical shift list or peak list files.

Mandatory files are indicated with a § symbol - restraints have been mandatory since February 2008???  If you have already supplied coordinates and/or restraints in your CCPN project then this data will automatically be extracted and you won't need to upload this data again.  If you have already provided both types of mandatory data in your project, then this page will be skipped in the deposition process and a green button will be shown for this page on uploading your CCPN project.

The File Upload page.

On this page, it is possible to upload data files such as structures, restraints or chemical shift lists.  This page will be automatically completed for you if you have a complete CCPN project.