Skip to content
@MolBioMedUAB

MolBioMedUAB

Pinned Loading

  1. EMDA Public

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

    Jupyter Notebook 3

  2. 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 Public

    Shell

  4. 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 Public

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

    Python

Repositories

Showing 8 of 8 repositories
  • protocols Public
    Shell 0 0 0 0 Updated Dec 23, 2024
  • 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.

    DIGITAL Command Language 0 0 0 0 Updated Sep 6, 2024
  • EMDA Public

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

    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

    Python 0 0 0 0 Updated Jul 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.

    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.

    0 MIT 0 0 0 Updated Nov 16, 2023
  • RCBS.py-examples Public
    Jupyter Notebook 0 0 0 0 Updated Feb 23, 2022
  • manuales Public
    TeX 0 0 0 0 Updated Feb 17, 2021

Top languages

Loading…

Most used topics

Loading…