standards > model/format > bsg-s001620
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ready Portable reduced-precision binary format for trajectories produced by GROMACS package.

Abbreviation: xtc


General Information
The XTC format is a portable binary format for trajectories produced by GROMACS package. It uses the External Data Representation (xdr) routines for writing and reading data which were created for the Unix Network File System (NFS). Trajectories are written in XTC files using a reduced precision (lossy) algorithm which works multiplying the coordinates by a scaling factor (typically 1000), so converting them to pm (GROMACS standard distance unit is nm). This allows an integer rounding of the values. Several other tricks are performed, such as making use of atom proximity information: atoms close in sequence are usually close in space (e.g. water molecules). That makes XTC format the most efficient in terms of disk usage, in most cases reducing by a factor of 2 the size of any other binary trajectory format.

Homepage https://manual.gromacs.org/documentation/2021/reference-manual/file-formats.html#xtc

Countries that developed this resource Netherlands , Sweden

Created in 1995

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Awaiting DOI assignment.


This record is maintained by adamhospital

Record added: June 29, 2021, 3:47 p.m.
Record updated: June 29, 2021, 3:50 p.m. by adamhospital.




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Publications

Methods and Techniques in Computational Chemistry: METECC-95

D. Green, K. Meacham, M. Surridge, F. van Hoesel and J. Berendsen
Methods and Techniques in Computational Chemistry: METECC-95 1995

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Related Databases (1)
Big Data Nucleic Acid Simulations Database
Atomistic Molecular Dynamics Simulation Trajectories and Analyses of Nucleic Acid Structures. BIGNASim is a complete platform to hold and analyse nucleic acids simulation data, based on two noSQL database engines: Cassandra to hold trajectory data and MongoDB for analyses and metadata. Most common analyses (helical parameters, NMR observables, sitffness, hydrogen bonding and stacking energies and geometries) are pre-calculated for the trajectories available and shown using the interactive visualization offered by NAFlex interface. Additionaly, whole trajectories, fragments or meta-trajectories can be analysed or downloaded for further in-house processing.

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