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Justin MacCallum, Alberto Perez, and Ken Dill
MELD
Container
Justin MacCallum, Alberto Perez, and Ken Dill
MELD

MELD is a tool for inferring the structure of biomolecules from sparse, ambiguous, or noisy data. MELD combines semi-reliable data with atomistic physical models using Bayesian inference.

LayerLabelCreated
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4CONFIG
—
—
80a43ebacd239f266ff6af2cf2461cf5313db59ab6c2861ac26f959ef1012e29RUN
EIGEN3_INCLUDE_DIR=/usr/include/eigen3 cd /meld &&
  python setup.py install &&
  cd plugin/build &&
  cmake .. &&
  make -j &&
  make install -j &&
  make PythonInstall -j
09/20/2020 2:44 AM UTC
b0476ebc0605aafb6d03edb5fec5f539af2bfc95e36982813a055d1076018064ARG
EIGEN3_INCLUDE_DIR=/usr/include/eigen3
09/20/2020 2:44 AM UTC
0a17b3822151245e1ab11024947dbfce89fc463efb02d32f8ef9900f9b868e5bCOPY
file:3b48e073613d31cff266aa6cd9b25c696ce33c4dbda2dfb8419c838aae50256e in /meld/plugin/build/CMakeCache.txt
09/20/2020 2:44 AM UTC
45d477549606c63455774ebe91e81e82d6fc20359e2a05783eef7edd5efe5d8fRUN
mkdir /meld/plugin/build
09/20/2020 2:44 AM UTC
0a5e79faf19cd4eb840af6f61a7afee57589c22b41ad2a7ab4337219f1a33a6aCOPY
dir:189e03c234380f767a51cbedea0361682895228e93a36f16883419562fee912e in /meld
09/20/2020 2:44 AM UTC
b84c4c67e12b941c07dd6eb3851eedc610be1edaf68dd1a62c0a6dd9366ab30eRUN
wget -q -nc --no-check-certificate https://github.com/ParmEd/ParmEd/archive/3.2.0.tar.gz &&
  tar -C / -xf 3.2.0.tar.gz &&
  cd /ParmEd-3.2.0 &&
  python setup.py install
09/20/2020 2:44 AM UTC
d744885c5b7a6294e4fef657dc31c3ab6ee987e0a01a9a7c6a79ed07bc962a8fRUN
cd /openmm/build &&
  cmake .. &&
  make -j &&
  make install -j &&
  make PythonInstall -j
09/20/2020 2:43 AM UTC
424de5b4ac8bb714104bfca1f149e447777481e998c4e4e23af9bbe7e64b5bf5COPY
file:07d8c9b62e1f6bf445d4c2250a57a5f18adb61ddea4f3a2b978dbe398ff76ce8 in /openmm/build/CMakeCache.txt
09/20/2020 2:41 AM UTC
c20e0ec07ac25e8e61b2fffcb10671091cc3c3a5cb5076275eee4fe079f6f88aRUN
mkdir /openmm/build
09/20/2020 2:41 AM UTC

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