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environment.yml
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name: strpsearch_env
channels:
- bioconda
- schrodinger
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- apbs=1.5=hd8ae8d1_0
- aria2=1.36.0=h1e4e653_3
- biopython=1.78=py38h7f8727e_0
- blas=1.0=mkl
- bottleneck=1.3.5=py38h7deecbd_0
- brotli=1.0.9=h5eee18b_7
- brotli-bin=1.0.9=h5eee18b_7
- brotlipy=0.7.0=py38h27cfd23_1003
- bzip2=1.0.8=h7f98852_4
- c-ares=1.20.1=hd590300_0
- ca-certificates=2023.08.22=h06a4308_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- certifi=2023.11.17=py38h06a4308_0
- cffi=1.15.1=py38h5eee18b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- collada2gltf=2.1.4=h6bb024c_0
- contourpy=1.0.5=py38hdb19cb5_0
- cryptography=41.0.3=py38hdda0065_0
- curl=7.88.1=hdc1c0ab_1
- cycler=0.11.0=pyhd3eb1b0_0
- cyrus-sasl=2.1.28=h52b45da_1
- dbus=1.13.18=hb2f20db_0
- expat=2.5.0=h6a678d5_0
- foldseek=8.ef4e960=pl5321hb365157_0
- fontconfig=2.14.1=h52c9d5c_1
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.12.1=h4a9f257_0
- gawk=5.2.2=ha916aea_1
- gettext=0.21.1=h27087fc_0
- giflib=5.2.1=h5eee18b_3
- glew=2.1.0=h9c3ff4c_2
- glib=2.69.1=he621ea3_2
- glm=0.9.9.8=h00ab1b0_0
- gmp=6.2.1=h58526e2_0
- gst-plugins-base=1.14.1=h6a678d5_1
- gstreamer=1.14.1=h5eee18b_1
- h5py=3.7.0=nompi_py38h7927eab_102
- hdf4=4.2.15=h9772cbc_5
- hdf5=1.12.2=nompi_h4df4325_101
- icu=58.2=he6710b0_3
- idna=3.4=py38h06a4308_0
- importlib_resources=5.2.0=pyhd3eb1b0_1
- intel-openmp=2023.1.0=hdb19cb5_46305
- jpeg=9e=h5eee18b_1
- kiwisolver=1.4.4=py38h6a678d5_0
- krb5=1.20.1=h143b758_1
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libaec=1.1.2=h59595ed_1
- libbrotlicommon=1.0.9=h5eee18b_7
- libbrotlidec=1.0.9=h5eee18b_7
- libbrotlienc=1.0.9=h5eee18b_7
- libclang=14.0.6=default_hc6dbbc7_1
- libclang13=14.0.6=default_he11475f_1
- libcups=2.4.2=h2d74bed_1
- libcurl=7.88.1=hdc1c0ab_1
- libdeflate=1.17=h5eee18b_1
- libedit=3.1.20221030=h5eee18b_0
- libev=4.33=h516909a_1
- libevent=2.1.12=hdbd6064_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=13.2.0=h807b86a_2
- libgfortran-ng=13.2.0=h69a702a_3
- libgfortran5=13.2.0=ha4646dd_3
- libglu=9.0.0=hac7e632_1003
- libholoplaycore=0.1.0_rc4=1
- libidn2=2.3.4=h166bdaf_0
- libllvm14=14.0.6=hdb19cb5_3
- libnetcdf=4.8.1=nompi_h21705cb_104
- libnghttp2=1.57.0=h2d74bed_0
- libnsl=2.0.1=hd590300_0
- libopenblas=0.3.25=pthreads_h413a1c8_0
- libpng=1.6.39=h5eee18b_0
- libpq=12.15=hdbd6064_1
- libsqlite=3.43.2=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_2
- libtiff=4.5.1=h6a678d5_0
- libunistring=0.9.10=h7f98852_0
- libuuid=1.41.5=h5eee18b_0
- libwebp=1.3.2=h11a3e52_0
- libwebp-base=1.3.2=h5eee18b_0
- libxcb=1.15=h7f8727e_0
- libxkbcommon=1.0.1=hfa300c1_0
- libxml2=2.9.14=h74e7548_0
- libzip=1.10.1=h2629f0a_3
- libzlib=1.2.13=hd590300_5
- llvm-openmp=17.0.3=h4dfa4b3_0
- lz4-c=1.9.4=h6a678d5_0
- matplotlib=3.7.2=py38h06a4308_0
- matplotlib-base=3.7.2=py38h1128e8f_0
- mengine=1=h14c3975_1
- mkl=2023.1.0=h213fc3f_46343
- mkl-service=2.4.0=py38h5eee18b_1
- mkl_fft=1.3.8=py38h5eee18b_0
- mkl_random=1.2.4=py38hdb19cb5_0
- mmcif_pdbx=2.0.0=pyh44b312d_0
- mpeg_encode=1=h14c3975_1
- mpfr=4.2.0=hb012696_0
- mtz2ccp4_px=1.1=h3218e01_0
- munkres=1.1.4=py_0
- mysql=5.7.24=h721c034_2
- ncurses=6.4=h6a678d5_0
- nspr=4.35=h6a678d5_0
- nss=3.89.1=h6a678d5_0
- numexpr=2.8.4=py38hc78ab66_1
- numpy=1.24.3=py38hf6e8229_1
- numpy-base=1.24.3=py38h060ed82_1
- openjpeg=2.4.0=h3ad879b_0
- openssl=3.2.0=hd590300_1
- packaging=23.1=py38h06a4308_0
- pandas=2.0.3=py38h1128e8f_0
- pcre=8.45=h295c915_0
- pdb2pqr=3.6.1=pyhd8ed1ab_0
- perl=5.32.1=4_hd590300_perl5
- pillow=10.0.1=py38ha6cbd5a_0
- pip=23.3=py38h06a4308_0
- platformdirs=3.10.0=py38h06a4308_0
- ply=3.11=py38_0
- pmw=2.0.1=py38h578d9bd_1008
- pooch=1.7.0=py38h06a4308_0
- propka=3.5.0=py38h6f1a3b6_0
- pycollada=0.7.2=pyhd8ed1ab_0
- pycparser=2.21=pyhd3eb1b0_0
- pykerberos=1.2.4=py38hba943f1_3
- pymol=2.5.5=py38h9d334bd_0
- pymol-bundle=2.5.5=2
- pymol-open-source=2.5.0=py38h9174eab_6
- pymol-web-examples=2.4=1
- pyopenssl=23.2.0=py38h06a4308_0
- pyparsing=3.0.9=py38h06a4308_0
- pyqt=5.15.10=py38h6a678d5_0
- pyqt5-sip=12.13.0=py38h5eee18b_0
- pysocks=1.7.1=py38h06a4308_0
- python=3.8.18=h955ad1f_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- python_abi=3.8=2_cp38
- pytz=2023.3.post1=py38h06a4308_0
- qt-main=5.15.2=h7358343_9
- readline=8.2=h5eee18b_0
- requests=2.31.0=py38h06a4308_0
- rigimol=1.3=2
- scipy=1.10.1=py38hf6e8229_1
- seaborn=0.12.2=py38h06a4308_0
- setuptools=68.0.0=py38h06a4308_0
- sip=6.7.12=py38h17151c0_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- tk=8.6.12=h1ccaba5_0
- tmalign=20170708=h1107714_5
- toml=0.10.2=pyhd3eb1b0_0
- tomli=2.0.1=pyhd8ed1ab_0
- tornado=6.3.3=py38h5eee18b_0
- urllib3=1.26.16=py38h06a4308_0
- vtk-m=1.8.0=h3fd9d12_1
- wget=1.20.3=ha35d2d1_1
- wheel=0.41.2=py38h06a4308_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libx11=1.8.7=h8ee46fc_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.4.2=h5eee18b_0
- zipp=3.11.0=py38h06a4308_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.5=hc292b87_0
- pip:
- click==8.1.7
- colorama==0.4.6
- markdown-it-py==3.0.0
- mdurl==0.1.2
- pygments==2.17.2
- rich==13.7.0
- shellingham==1.5.4
- typer==0.9.0
- typing-extensions==4.8.0