BioExcel Centre of Excellence for Computational Biomolecular Research
Published January 1, 2013 | Version v1
Project deliverable Open

Standards for data handling

Authors/Creators

  • 1. BSC
  • 2. KTH
  • 3. LRZ
  • 4. IRB

Description

We present in this paper ScalaLife’s proposed data standards and best practices for Molecular Dynamics data management. Our proposed data standard is divided in two layers: the XML UMM format and the embedded TNG file. TNG is a high-compressed and robust file format that allows nonsequential access to trajectory information. TNG will be adopted by GROMACS from the next major release. UMM is implemented in XSD and sets the common definition of high-level simulation information. We also implemented UMM-MoDEL, a database software bundle to manage MD simulation data using UMM/TNG standards. ScalaLife is working for the adoption of the standards developing open I/O APIs, converters and interfaces for Life Sciences community.

Files

d7.3_-_white_paper_on_standards_for_data_handling.pdf

Files (2.3 MB)

Additional details

Funding

European Commission
SCALALIFE - Scalable Software Services for Life Science 261523