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parsley.yml
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parsley.yml
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name: parsley
channels:
- openeye
- anaconda
- conda-forge
- http://conda.binstar.org/omnia
- acellera
- omnia
- http://conda.anaconda.org/psi4
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- alabaster=0.7.12=py_0
- ambermini=16.16.0=7
- asn1crypto=1.2.0=py36_0
- atomicwrites=1.3.0=py_0
- attrs=19.3.0=py_0
- babel=2.7.0=py_0
- backcall=0.1.0=py_0
- blas=1.0=mkl
- bleach=3.1.0=py_0
- blosc=1.15.0=hd408876_0
- boost=1.59.0=py36_1
- boost-cpp=1.67.0=h14c3975_4
- bson=0.5.8=py_0
- bzip2=1.0.8=h516909a_1
- ca-certificates=2020.1.1=0
- cairo=1.16.0=h18b612c_1001
- certifi=2019.11.28=py36_0
- cffi=1.13.2=py36h8022711_0
- chardet=3.0.4=py36_1003
- cmiles=0.1.5=py36_2
- cryptography=2.7=py36h72c5cf5_0
- cycler=0.10.0=py36_0
- cython=0.29.14=py36he1b5a44_0
- dbus=1.13.6=he372182_0
- decorator=4.4.1=py_0
- defusedxml=0.6.0=py_0
- docutils=0.15.2=py36_0
- entrypoints=0.3=py36_1000
- expat=2.2.6=he6710b0_0
- fftw3f=3.3.4=2
- fontconfig=2.13.1=he4413a7_1000
- freetype=2.9.1=h8a8886c_1
- gettext=0.19.8.1=hc5be6a0_1002
- glib=2.58.3=h6f030ca_1002
- gst-plugins-base=1.14.5=h0935bb2_0
- gstreamer=1.14.5=h36ae1b5_0
- hdf5=1.10.4=hb1b8bf9_0
- icu=58.2=h9c2bf20_1
- idna=2.8=py36_1000
- imagesize=1.1.0=py_0
- importlib_metadata=0.23=py36_0
- intel-openmp=2019.4=243
- ipykernel=5.1.3=py36h5ca1d4c_0
- ipython=7.9.0=py36h5ca1d4c_0
- ipython_genutils=0.2.0=py_1
- jedi=0.15.1=py36_0
- jinja2=2.10.3=py_0
- jpeg=9c=h14c3975_1001
- jsonschema=3.1.1=py36_0
- jupyter_client=5.3.3=py36_1
- jupyter_core=4.5.0=py_0
- kiwisolver=1.1.0=py36he6710b0_0
- libboost=1.67.0=h46d08c1_4
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc=7.2.0=h69d50b8_2
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libiconv=1.15=h516909a_1005
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.17=h516909a_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.1.0=hfc65ed5_0
- libuuid=2.32.1=h14c3975_1000
- libxcb=1.13=h1bed415_1
- libxml2=2.9.9=hea5a465_1
- lz4-c=1.8.3=he1b5a44_1001
- lzo=2.10=h49e0be7_2
- markupsafe=1.1.1=py36h516909a_0
- matplotlib=3.1.1=py36h5429711_0
- mdtraj=1.9.1=py36_0
- memory_profiler=0.55.0=py_0
- mistune=0.8.4=py36h516909a_1000
- mkl=2019.4=243
- mkl-service=2.3.0=py36he904b0f_0
- mkl_fft=1.0.14=py36ha843d7b_0
- mkl_random=1.1.0=py36hd6b4f25_0
- more-itertools=7.2.0=py_0
- msgpack-python=0.6.2=py36hc9558a2_0
- nbconvert=5.6.1=py36_0
- nbformat=4.4.0=py_1
- ncurses=6.1=he6710b0_1
- networkx=2.3=py_0
- notebook=6.0.1=py36_0
- numexpr=2.7.0=py36h9e4a6bb_0
- numpy=1.17.2=py36haad9e8e_0
- numpy-base=1.17.2=py36hde5b4d6_0
- numpydoc=0.9.1=py_0
- olefile=0.46=py_0
- openeye-toolkits=2019.10.2=py36_0
- openforcefield=0.5.1=py36_1
- openforcefields=1.0.0=py36_0
- openmm=7.4.0=py36_cuda101_rc_1
- openmoltools=0.8.4=py36_1
- openssl=1.1.1=h7b6447c_0
- packaging=19.2=py_0
- pandas=0.25.3=py36hb3f55d8_0
- pandoc=2.7.3=0
- pandocfilters=1.4.2=py_1
- parmed=3.2.0=py36_0
- parso=0.5.1=py_0
- patsy=0.5.1=py36_0
- pcre=8.43=he6710b0_0
- pexpect=4.7.0=py36_0
- pickleshare=0.7.5=py36_1000
- pillow=5.3.0=py36h00a061d_1000
- pip=19.3.1=py36_0
- pixman=0.38.0=h516909a_1003
- pluggy=0.12.0=py_0
- prometheus_client=0.7.1=py_0
- prompt_toolkit=2.0.10=py_0
- psutil=5.6.7=py36h7b6447c_0
- ptyprocess=0.6.0=py_1001
- py=1.8.0=py_0
- py-boost=1.67.0=py36h04863e7_4
- pycairo=1.18.2=py36h438ddbb_0
- pycparser=2.19=py36_1
- pygments=2.4.2=py_0
- pyopenssl=19.0.0=py36_0
- pyparsing=2.4.2=py_0
- pyqt=5.9.2=py36h05f1152_2
- pyrsistent=0.15.5=py36h516909a_0
- pysocks=1.7.1=py36_0
- pytables=3.5.1=py36h71ec239_0
- pytest=5.0.1=py36_0
- python=3.6.9=h265db76_0
- python-dateutil=2.8.0=py36_0
- pytz=2019.3=py_0
- pyyaml=5.1.2=py36h516909a_0
- pyzmq=18.1.0=py36h1768529_0
- qt=5.9.7=h52cfd70_2
- rdkit=2019.03.4.0=py36hc20afe1_1
- readline=7.0=h7b6447c_5
- requests=2.22.0=py36_1
- scipy=1.3.1=py36h7c811a0_0
- seaborn=0.9.0=pyh91ea838_1
- send2trash=1.5.0=py_0
- setuptools=41.6.0=py36_0
- sip=4.19.8=py36hf484d3e_0
- six=1.12.0=py36_0
- smirnoff99frosst=1.1.0=py36_1
- snappy=1.1.7=hbae5bb6_3
- snowballstemmer=2.0.0=py_0
- sphinx=2.2.1=py_0
- sphinxcontrib-applehelp=1.0.1=py_0
- sphinxcontrib-devhelp=1.0.1=py_0
- sphinxcontrib-htmlhelp=1.0.2=py_0
- sphinxcontrib-jsmath=1.0.1=py_0
- sphinxcontrib-qthelp=1.0.2=py_0
- sphinxcontrib-serializinghtml=1.1.3=py_0
- sqlite=3.30.1=h7b6447c_0
- statsmodels=0.10.1=py36hdd07704_0
- terminado=0.8.2=py36_0
- testpath=0.4.4=py_0
- tk=8.6.8=hbc83047_0
- toml=0.10.0=py_0
- tornado=6.0.3=py36h7b6447c_0
- traitlets=4.3.3=py36_0
- urllib3=1.25.6=py36_0
- wcwidth=0.1.7=py_1
- webencodings=0.5.1=py_1
- wheel=0.33.6=py36_0
- xmltodict=0.12.0=py_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.9=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.4=h14c3975_4
- yaml=0.1.7=h14c3975_1001
- zeromq=4.3.2=he1b5a44_2
- zipp=0.6.0=py_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.3=h3b9ef0a_0
- pip:
- amberlite==16.0
- ambertools==17.0
- mmpbsa-py==16.0
- packmol-memgen==1.0.5rc0
- pdb4amber==1.7.dev0
- pytraj==2.0.5
- sander==16.0
prefix: /beegfs/DATA/mobley/limvt/local/miniconda3/envs/parsley