uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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A molecular system can be a set of items, not only one. #16

Closed dprada closed 3 years ago

dprada commented 3 years ago

A molecular system can be defined by a set of items, not only one. This means that all methods should be able to work with a list of items, not just one. This way, the possibility to have an item for the topology, a second item for the coordinates, and a third item for the box, i.e., requires auxiliary methods to deal with it. In addition, this has to be documented as something implicit in the philosophy of MolSysMT.