CcpNmr ECI
ECI allows you to easily add an "Entry" object to your CCPN project. An "Entry" object contains all the information that you wish to deposit with your submission. You can also select chemical shift lists, peak lists, structural restraints, ensembles all at the click of a button. You can also add all the meta data that is required for submissions to the PDB and BMRB. Fields that are editable are indicated with a small "E" in the bottom left corner. Sometimes data lines are shown in colour - for example, green is often used to indicate that the data will be submitted with your deposition.
ECI is tabbed based, and below are a list of the tabs together with short explanations of each tab together with a link to a separate page about each tab and an example screenshot. This page gives a overview of all tabs - follow links for more information.
Main
In this tab, you can add a new "Entry" for your project. It is also possible to add basic information about your study including a PDB title, a molecular system (MolSystem) and special instructions for the curators of your data.
For more details go to the Main tab page.
NMR Data
Here, you can select the different NMR measurements and data derivations in your CCPN project. The tab allows you to set, for example, a type of measurement, such as chemical shift lists or peak lists etcetera. It is still possible to import data from other software formats at this stage of your submission using FormatConverter.
Read more on the NMR data page for detailed information.
People
This tab allows you to add people involved in your study and select them as authors and contact people. For any contact persons, it is also possible to add address information in the bottom frame, such as email address, mailing address, email, etc.
For detailed information go to the People page.
References
This tab allows you to set information about citations and software of relevance to your study.
Read more on the References page for detailed information.
Shifts
This tab allows you to add chemical shift references and provides quality control of the input data.
For more information go to the Shifts page.
Molecules
The molecules tab allows you to check the information about the molecule and chains in the MolSystem selected on the Main tab. You can also edit some physical properties about the chains and review information about ligands, metal ions and non-standard monomers in your polymers.
Go to the Molecules page for detailed information.
Sources
This tab is for experimental and biological (natural) sources for all the polymers in your MolSystem.
Further information is provided on the Sources page.
Samples
The samples frame allows you to add sample information for the NMR experiments in your study.
More detailed information is provided on the Samples page.
NMR Conditions
This tab is for the NMR experimental conditions used in your experiments such as temperature or pH.
Read more on the NMR conditions for detailed information.
Experiments
On this tab, it is possible to add NMR spectrometer and experiment information.
Further information is in the Experiments page.
Structures
The final tab is for adding structures and restraints used for calculating those structures.
For more details go to the Structures tab.
After saving your changes in ECI
Finally, save the project directory as a .tar.gz file, which can be submitted to AutoDep.