libxtc: an efficient library for reading XTC-compressed MD trajectory data
libxtc: an efficient library for reading XTC-compressed MD trajectory data
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Publisher
England: BioMed Central Ltd
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Language
English
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Publisher
England: BioMed Central Ltd
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Contents
The purpose of this work is to optimize the processing of molecular dynamics (MD) trajectory data obtained for large biomolecular systems. Two popular software tools were chosen as the reference: the tng and the xdrfile libraries. Current implementation of tng algorithms and library is either fast or storage efficient and xdrfile is storage efficie...
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Full title
libxtc: an efficient library for reading XTC-compressed MD trajectory data
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TN_cdi_doaj_primary_oai_doaj_org_article_d506f9c00b7d4777a2fe20cc3bb98e3d
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d506f9c00b7d4777a2fe20cc3bb98e3d
Other Identifiers
ISSN
1756-0500
E-ISSN
1756-0500
DOI
10.1186/s13104-021-05536-5
