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  1. OpenSMOG OpenSMOG Public

    Forked from smog-server/OpenSMOG

    OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.

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  2. SMOG2 SMOG2 Public

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  3. Contacts Contacts Public

    This tool reads structure based model contact content and calculates the fraction of native contacts (Q) either during an OpenMM simulation or from a simulation trajectory.

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