Please consider reading some papers regarding this platform and other related topics:
ioChem-BD relies in an unique software platform which is builded in a modular way to satisfy all the needs: data creation and curation, publishing, storage, indexing data and search engine services.
Other ioChem-BD modules automatize relevant data-extracting processes and transforms raw numerical data into labeled data in a database. It provides the researcher with tools for validating, enriching, publishing and sharing information, as well as tools to access, post-process and visualize data.
Users include computational chemistry research groups worldwide, university libraries and related services, and high performance supercomputer centers.
The services available in the repository are actually provided by different modules: Create, Browse and Find. Each one has different objectives in managing chemistry digital assets, and they both complement each other. While there exists one only Find, there are as many Create/Browse modules as nodes in the network.
This web service is intended for use in private manner. It is fed with user files uploaded via a web browser or from any box running a Linux shell client, see Uploading Content into Create page.
- Private interface, content accessed by user permission only
- Productivity-oriented GUI designed using the zKoss framework
- Automated document, data graph/chart generation: PDF files of supporting information reports, reaction energy profiles, etc…
- Search by keywords and administrative metadata
- Compact and intuitive design
- Publish user selected data to the companion Browse module
Communities are the basis of hierarchy organization
Collections are the end point where to publish elements
Items are viewable digital assets. An item can be made of a single or a group of files, all of them related to the same calculation:
- input and output files,
- associated documents,
- and more…
We can make a direct correspondence of elements between Create and Browse organizational elements:
|Create entity||Browse entity|
It is up to ioChem-BD’s system administrator to generate users, groups and communities where to publish content. Collections and items are automatically generated during the process of publication from the Create module.
Topics inside this documentation¶
- General usage