Research Data Leeds Repository

All-atom Ndc80C trajectories, KOBRA parameterisation and validation

Welch, Robert (2020) All-atom Ndc80C trajectories, KOBRA parameterisation and validation. University of Leeds. [Dataset] https://doi.org/10.5518/760

Dataset description

Raw data and Python scripts that generate the plots seen in 'KOBRA: A Fluctuating Elastic Rod Model for Slender Biological Macromolecules'. The MD trajectories are in the AMBER format. For KOBRA trajectories, download FFEA from ffea.bitbucket.io. The python scripts are mixed between Python 2.x and python 3.x. MDAnaysis, ISAMBARD, SCWRL4, PyMOL, VMD and PyPCAZip are recommended.

Keywords: FFEA, Molecular Dynamics, AMBER, KOBRA, Simulation Trajectories
Subjects: C000 - Biological sciences > C700 - Molecular biology, biophysics & biochemistry > C790 - Molecular biology, biophysics & biochemistry not elsewhere classified
Divisions: Faculty of Mathematics and Physical Sciences > School of Physics and Astronomy
Related resources:
LocationType
https://doi.org/10.1039/D0SM00491JPublication
http://eprints.whiterose.ac.uk/163324/Publication
https://bitbucket.org/Robert-Welch/kobra-raw-data/src/master/Software
Date deposited: 09 Aug 2020 20:08
URI: http://archive.researchdata.leeds.ac.uk/id/eprint/725

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