Published November 4, 2021 | Version v0.9.0
Dataset Open

A tutorial dataset for TransportTools engine

Description

This file includes the input data necessary to follow the tutorial for TransportTools standard workflow.

- two trajectories and topologies of MD simulations

- templates for CAVER and AQUA-DUCT analyses of these simulations

- precomputed results of CAVER and AQUA-DUCT analyses

Files

Files (151.8 MB)

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md5:82de2ca049ccc4ee528097ae70c8a01b
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