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libxtc: an efficient library for reading XTC-compressed MD trajectory data
OBJECTIVE: 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 ei...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8017739/ https://www.ncbi.nlm.nih.gov/pubmed/33794973 http://dx.doi.org/10.1186/s13104-021-05536-5 |