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  • UIUC
    vmd
    Container
    UIUC
    vmd

    VMD is designed for modeling, visualization, and analysis of biomolecular systems such as proteins, nucleic acids, lipid membranes, carbohydrate structures, etc. VMD provides a wide variety of graphical representations for visualizing and coloring molecular structures: molecular surfaces, space-filling CPK spheres and cylinders, licorice bonds, backbone tubes and ribbons, secondary structure cartoons, and others.

  • LayerLabelCreated
    sha256:98ed6a0578179c699374468a27e73fcabdd22173934c7bba2b3e625a1f63f4b4RUN
    cd tmp &&
  tar --no-same-owner -xf /tmp/NAMD_3.0alpha3_Linux-x86_64-multicore-CUDA-SingleNode.tar.gz &&
  mkdir -p /usr/local/bin &&
  cd NAMD_3* &&
  cp namd3 charmrun flipbinpdb flipdcd psfgen sortreplicas /usr/local/bin &&
  cd ../.. &&
  rm -rf /tmp/NAMD_3*
    		06/25/2020 9:02 PM UTC
    sha256:d224fd250664cf5e82a6fb9db63c3cb523100c2564ad77f20b5b7a9007eb42f2COPY
    file:18fa4a91dada1cb2835933b0ee91bcf499663beea26d6b1e3713cfbc0a82922d in /tmp/
    		06/25/2020 9:02 PM UTC
    sha256:ecc10af8dc4132fc9ccd3fa925ffdcbbdf17417cecdbd1bbebe08dd310fcce4eRUN
    export LD_LIBRARY_PATH=/usr/local/lib/vmd:$LD_LIBRARY_PATH &&
  ldconfig
    		06/25/2020 9:02 PM UTC
    sha256:bb0d93fcce7dce48e5b2fa124f808f5310b266bf990695314e34b3332b0dff07RUN
    cd tmp &&
  tar --no-same-owner -xf vmd-1.9.4a44.bin.LINUXAMD64.egl.tar.gz &&
  cd vmd-1.9.4a44 &&
  ./configure &&
  cd src &&
  make install &&
  cd ../.. &&
  rm -rf /tmp/vmd-1.9.4*
    		06/25/2020 9:02 PM UTC
    sha256:c113c4dc54a2e6dee69eeab53105ed98b4dc80472b9f94dfbb8b07bf9274b2cdCOPY
    file:f3581c85d2f85bcfff1a19497900f9be90796ca3de50fc5b98c42c21b50838ff in /tmp/
    		06/22/2020 6:09 AM UTC
    sha256:d07fdcc8ed00072cd8916f4603dbbb4c777e85328de4a9c367b44b37f9268a24RUN
    rm -f /usr/share/glvnd/egl_vendor.d/50_mesa.json
    		06/22/2020 6:08 AM UTC
    sha256:7ec1a85f71c9dad915cc23cc6a8496b431936a7aa96263d2c60023cba6ba0a86RUN
    apt-get update &&
  apt-get install -y --no-install-recommends vim make csh wget &&
  rm -rf /var/lib/apt/lists/*
    		06/22/2020 6:08 AM UTC
    sha256:1fa2be3a949bc2d59eb16af99dfbd0780d4e2072bc8f65f02604da2eff54d399RUN
    ldconfig
    		06/22/2020 6:08 AM UTC
    sha256:a337969ff933e002505a502d24c78eb8b74a48badd6994fa264046c1174f4245COPY
    file:7f099b83994b42206e25be3e2fbcdc426ad3ab9c1a1081825740f5566d02557d in /usr/share/glvnd/egl_vendor.d/
    		06/22/2020 6:08 AM UTC
    sha256:be29bc8429f4c22c0a9ff460e2b69e001cbf1515450ff6571b2568f5c7e17485RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends freeglut3 libegl1 libgl1 libglvnd0 libopengl0 &&
  rm -rf /var/lib/apt/lists/*
    		06/22/2020 6:08 AM UTC