Depositing

This page explains how users can contribute data to the ACSC Molecular Simulation Data Repository. If you are new to the repository, please read the “Accessing” page before continuing. The following information assumes users have followed the account creation instructions on that page.

##Authorisation

Before uploading data to the repository, your user account must have editor or admin privileges within an organisation on the repository.

###For a New Organization

If you are a member of a research organisational unit (i.e., research group, not university) not yet represented on the repository and are interested in contributing data, please contact a.e.mark@uq.edu.au. An administrator will discuss the details of your group, create a corresponding organisation, and add your user account to the organisation as an organisation admin.

###For an Existing Organization

If your organisation is already represented on the repository, first ensure your user account is listed as an editor or admin on the members page for your organisation. If you do not have these privileges, contact an admin of your organisation (also listed on the organisation members page) and request to be made an editor.

##Preparing Datasets for Upload

Directories must be in a specific format, files must follow specific naming conventions, and certain metadata elements must be present before datasets can be incorporated into the repository. Details of these specifications are available [here](https://atb-uq.github.io/csc-tools/dataset_structure.html). The ACSC also offers a command-line tool [https://github.com/ATB-UQ/csc-tools]((csc-tools)) that can be used to check that the structure and contents of datasets are appropriate for upload to the ACSC Molecular Simulation Data Repository.

##Uploading Files

Once directories and file names are in the proper structure, datasets can be exported from csc-tools by following the instructions [https://atb-uq.github.io/csc-tools/exporting.html](here) and uploaded by following the instructions [https://atb-uq.github.io/csc-tools/uploading.html](here).