libxtc: an efficient library for reading XTC-compressed MD trajectory data
Abstract 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 libra...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2021-04-01
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| Series: | BMC Research Notes |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13104-021-05536-5 |