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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...
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| Publicat a: | BMC Res Notes |
|---|---|
| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
BioMed Central
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8017739/ https://ncbi.nlm.nih.gov/pubmed/33794973 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13104-021-05536-5 |
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