Showing 3 open source projects for "pdf tool python"

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  • 1
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...
    Downloads: 3 This Week
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  • 2

    GromacsProSuite

    Graphical User Interface for Gromacs

    This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...
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    Downloads: 18 This Week
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  • 3
    MDcons(Molecular Dynamics consensus)

    MDcons(Molecular Dynamics consensus)

    Interpretation of Biomolecular MD simulations

    MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.
    Downloads: 1 This Week
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