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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
    sha256:8bc3a5d0950826ff96c9f05cf9a60667d129f3a012237076a46f95c302fff54dRUN
    cd /usr/lib/x86_64-linux-gnu/ &&
  rm libcuda.so &&
  ln -s libcuda.so.1 libcuda.so
    		03/22/2018 2:39 AM UTC
    sha256:ebb40d76a842d7fef422d1859d0467f6ff8901a664ad7f9f2081b86d8afb42a9COPY
    dir:4030921e423dd0bf5a384f4e3aba0a98ec5ffea5408bb1c542af3631e369724b in /opt/vmd/hivtestscene
    		03/22/2018 2:39 AM UTC
    sha256:13649a551d0258ed49701913a36482dc6e6ffbe0143f0a73997f38860aba31bcCOPY
    dir:d4e150ba7cfa79575cc729722acfafb1dbd4eceaf370529869b64725f444d82c in /opt/vmd/h1n1testscene
    		03/22/2018 2:39 AM UTC
    sha256:6d182efb87955495ef2ba60775b8ceef8def2683c40e1dbdb6527c663f40a282RUN
    cd tmp &&
  chmod +x build.sh &&
  mkdir /opt/vmd &&
  mkdir /opt/vmd/h1n1testscene &&
  ./build.sh &&
  rm -rf /tmp/*
    		03/22/2018 2:39 AM UTC
    sha256:8d2bd685e9b67106256c1affe1550c0403befc454896efee9419bb8a3331add7COPY
    dir:868d9b9f96aafe24921eb22536f8ff24e576363d19fce585aa542f4bdc740318 in /tmp/
    		03/22/2018 2:38 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    NVIDIA_DRIVER_CAPABILITIES=compute,utility,graphics,video
    		03/22/2018 2:38 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    NVIDIA_VISIBLE_DEVICES=all
    		03/22/2018 2:38 AM UTC
    sha256:b6c027bfd3c0492980557a541f91ccda6c6aaadcc85b4651d4db3a0fbbf24168RUN
    apt-get update &&
  apt-get install -y --no-install-recommends git ca-certificates make automake autoconf libtool pkg-config ssh rsync python libxext-dev libx11-dev x11proto-gl-dev libdrm-dev libxdamage-dev libx11-xcb-dev libxcb-glx0-dev libxcb-dri2-0-dev &&
  rm -rf /var/lib/apt/lists/*
    		03/22/2018 2:38 AM UTC
    sha256:37f7522c5368a5f1add4a06abcfb364904fe7db80b1f0764cee2489fe112ca6bRUN
    apt-get update &&
  apt-get install -y --no-install-recommends libxau6 libxdmcp6 libxcb1 libxext6 libx11-6 xauth &&
  rm -rf /var/lib/apt/lists/*
    		03/22/2018 2:38 AM UTC
    sha256:71db15db871998052a58704c3d31feb4d82507c755f47bab296410a5ff8feb5bRUN
    apt-get update &&
  apt-get install -y --no-install-recommends vim csh wget &&
  rm -rf /var/lib/apt/lists/*
    		03/22/2018 2:38 AM UTC