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THE CATHEDRAL PACKAGE
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THE CATHEDRAL PACKAGE
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  1. Pilgrim Pilgrim Public

    A thermal rate constant calculator and kinetics Monte Carlo Simulator

    Python 19 4

  2. TorsiFlex TorsiFlex Public

    A program for the conformational search in flexible acyclic molecules

    Python 11 5

  3. Aminoacids Aminoacids Public

    Conformers of the twenty proeinogenic aminoacids (TorsiFlex 2021.1)

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  4. Q2DTor Q2DTor Public

    Q2DTor is a program designed to calculate partition functions and thermodynamic properties of molecular systems with two torsional modes by means of the multistructural harmonic oscillator (MS-HO) …

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  5. PreviousVersions PreviousVersions Public

    Previous versions of programs in the Cathedral Package