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uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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Having our own trajectory file parsers would be more efficient #29

Closed dprada closed 2 years ago

dprada commented 3 years ago

MolSysMT should have its own file parsers. If not for every file format, at least for trajectory files -including pdbs-.

dprada commented 2 years ago

There is probably an option to avoid this: having a new basic function called "iterator" which in fact can be a function and an iterator at the same time. The return could be coordinates, box, time, and step.

dprada commented 2 years ago

This issue was better defined in #76. Closing.