uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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Convert mmtf files to mdtraj #85

Closed Daniel-Ibarrola closed 2 years ago

Daniel-Ibarrola commented 2 years ago

Description

Fixed bugs in the mmtf to mdtraj converter as mentioned in #65. The converter can now write mmtf files from an mdtraj trajectory and read an mmtf file direcrly into an mdtraj trajectory.

Also, some of the mmtf and pdb files were moved from the data to the demo directory.

codecov-commenter commented 2 years ago

Codecov Report

Merging #85 (9ef34e5) into main (eb25014) will increase coverage by 0.84%. The diff coverage is 93.97%.