{"categories":[{"label":"Bio-Informatics","url":"https://skillfed.io/packages/category/scientific-engineering-bio-informatics"}],"enrichment":{"capability":"Reads and writes molecular dynamics trajectory files in XTC, TRR, NetCDF, and DCD formats, extracted from MDTraj as a standalone library for use by Biotite.","skillfed_tags":["molecular-dynamics","trajectory-io","bioinformatics"],"use_cases":["Load molecular dynamics simulation trajectories in XTC or TRR format for analysis within Biotite workflows.","Convert trajectory files between supported formats (XTC, TRR, NetCDF, DCD) for compatibility with different simulation engines.","Extract trajectory data programmatically in Python without requiring the full MDTraj installation.","Integrate trajectory file handling into bioinformatics pipelines that use Biotite as a dependency."],"what_it_does":"biotraj is a minimal, standalone library for reading and writing molecular dynamics trajectory files. It is extracted from the larger MDTraj project and provides I/O functionality for XTC, TRR, NetCDF, and DCD formats\u2014the standard file types produced by molecular dynamics simulations. The package exists primarily as a dependency for Biotite, a bioinformatics toolkit, because Biotite cannot directly integrate MDTraj due to license incompatibility.\n\nThe package depends only on numpy and scipy, making it lightweight for trajectory file operations. It is classified as Beta (Development Status 4) and targets researchers and developers working with biomolecular simulation data. The library is not intended as a general-purpose replacement for MDTraj but rather as a focused tool for trajectory I/O when Biotite's license constraints apply.","worth_installing":"Yes, if you are using Biotite or need lightweight trajectory I/O for XTC, TRR, NetCDF, or DCD files. The package is stable and dependency-light (numpy, scipy only). However, maintenance is aging (last release 650 days ago), so verify that the formats you need are fully supported and check Biotite's current requirements before installing. Not recommended as a standalone replacement for MDTraj unless you have a specific license constraint."},"id":"biotraj","links":{"html":"https://skillfed.io/packages/biotraj","md":"https://skillfed.io/packages/biotraj.md","pypi":"https://pypi.org/project/biotraj/"},"maintenance":{"status":"aging"},"meta":{"latest_release":"2024-11-02","license_spdx":null,"license_treatment":"copyleft","name":"biotraj","python_support":"supports_current","summary":"Basic trajectory file format functionality for Biotite; forked from MDTraj"},"popularity":{"monthly_downloads":2207289,"position":3211,"tier":"top_5000"},"security":{"n_vulnerabilities":0},"version":"1.2.2"}