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@MolBioMedUAB

MolBioMedUAB

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  1. EMDA EMDA Public

    Python package for easy analysis of MD simulations based on MDAnalysis.

    Jupyter Notebook 3

  2. AMBER_parameters AMBER_parameters Public

    Repository for placing parameters and charges files (frcmod and mol2) of substrates used in our lab. All available files are distributed into folders depending on if they correspond to an enzyme, s…

    DIGITAL Command Language

  3. protocols protocols Public

    Shell

  4. common_errors_in_calculations common_errors_in_calculations Public

    Repo to store common errors that can be found when performing calculations. Its aim is to store both errors and their solution if any.

  5. scripts scripts Public

    Collection of useful scripts for the kind of calculations performed in the group

    Python

Repositories

Showing 8 of 8 repositories
  • AMBER_parameters Public

    Repository for placing parameters and charges files (frcmod and mol2) of substrates used in our lab. All available files are distributed into folders depending on if they correspond to an enzyme, substrate or the combination of both from a docking simulation.

    MolBioMedUAB/AMBER_parameters’s past year of commit activity
    DIGITAL Command Language 0 0 0 0 Updated Sep 6, 2024
  • EMDA Public

    Python package for easy analysis of MD simulations based on MDAnalysis.

    MolBioMedUAB/EMDA’s past year of commit activity
    Jupyter Notebook 3 MIT 0 6 0 Updated Aug 20, 2024
  • scripts Public

    Collection of useful scripts for the kind of calculations performed in the group

    MolBioMedUAB/scripts’s past year of commit activity
    Python 0 0 0 0 Updated Jul 11, 2024
  • protocols Public
    MolBioMedUAB/protocols’s past year of commit activity
    Shell 0 0 0 0 Updated Jun 11, 2024
  • RCBS.py Public

    RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package that contains several scripts, functions and classes that simplify the analysis of chemical and biochemical simulations.

    MolBioMedUAB/RCBS.py’s past year of commit activity
    Python 3 MIT 0 6 0 Updated Mar 22, 2024
  • common_errors_in_calculations Public

    Repo to store common errors that can be found when performing calculations. Its aim is to store both errors and their solution if any.

    MolBioMedUAB/common_errors_in_calculations’s past year of commit activity
    0 MIT 0 0 0 Updated Nov 16, 2023
  • RCBS.py-examples Public
    MolBioMedUAB/RCBS.py-examples’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Feb 23, 2022
  • manuales Public
    MolBioMedUAB/manuales’s past year of commit activity
    TeX 0 0 0 0 Updated Feb 17, 2021

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