CHARMM-DYES: Fluorescent dye parameters for use with the CHARMM forcefield
datasetposted on 01.07.2020 by Robert Shaw, Tristan Johnston-Wood, Ben Ambrose, Timothy Craggs, Grant Hill
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
The residues and parameters that make up the CHARMM-DYES force field, in machine readable GROMACS format. These files are used in molecular dynamics simulations that include the dyes typically used in Förster resonance energy transfer (FRET) experiments.
EthicsThere is no personal data or any that requires ethical approval
PolicyThe data complies with the institution and funders' policies on access and sharing
Sharing and access restrictionsThe data can be shared openly
- The file formats are open or commonly used
Methodology, headings and units
- There is a readme.txt file describing the methodology, headings and units