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Molecular dynamics simulation data extraction and analysis tools

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July 22 2010

  • This directory contains all of my scripts that I've written and reuse for various analysis that I do for my PhD projects

Contents

  • docs
  • scripts
  • abeta_analysis
  • SH3_analysis
  • GA4_analysis
  • klv_analysis
  • disordered
  • gromacs
  • lib
  • repos
  • sidechains
  • testcode
  • README.md
  • abstracts
  • docs
  • inositol
  • manuals
  • sarah
  • tableimport
  • community
  • end_to_end_repos
  • pylibs
  • scripts
  • tableimport2

#TODO:

  • Combine and clean up code for gromacs

    • Put all the gromacs code in one directory
    • Ensure that they all compile and have makefiles for Linux, Linux 64, Mac platforms
  • Repackage and refactor if necessary my in-house code packages or deprecate them

    • sidechains
    • dipep_analysis

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Molecular dynamics simulation data extraction and analysis tools

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