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environment.yml
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environment.yml
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name: PDBCleanV2
channels:
- bioconda
- conda-forge
dependencies:
- appnope=0.1.3=pyhd8ed1ab_0
- argon2-cffi=21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py310h1961e1f_2
- asttokens=2.0.5=pyhd8ed1ab_0
- attrs=21.4.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- beautifulsoup4=4.11.1=pyha770c72_0
- biopython=1.83
- bleach=5.0.1=pyhd8ed1ab_0
- brotli=1.0.9=h5eb16cf_7
- brotli-bin=1.0.9=h5eb16cf_7
- bzip2=1.0.8=h0d85af4_4
- ca-certificates=2023.5.7=h8857fd0_0
- certifi=2023.5.7=pyhd8ed1ab_0
- cffi=1.15.1=py310h96bbf6e_0
- cvxopt=1.3.0=py310hed5b562_1
- cycler=0.11.0=pyhd8ed1ab_0
- cython=0.29.30=py310hd4537e4_0
- debugpy=1.6.0=py310h9d931ec_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- dsdp=5.8=h6e329d1_1203
- entrypoints=0.4=pyhd8ed1ab_0
- executing=0.8.3=pyhd8ed1ab_0
- fftw=3.3.10=nompi_hf082fe4_102
- flit-core=3.7.1=pyhd8ed1ab_0
- fonttools=4.34.4=py310h6c45266_0
- freetype=2.10.4=h4cff582_1
- gettext=0.19.8.1=hd1a6beb_1008
- giflib=5.2.1=hbcb3906_2
- glib=2.72.1=h2292cb8_0
- glib-tools=2.72.1=h2292cb8_0
- glpk=4.65=h0f52abe_1004
- gmp=6.2.1=h2e338ed_0
- gsl=2.7=h93259b0_0
- gst-plugins-base=1.20.3=hda0ba4b_0
- gstreamer=1.20.3=hdc08c3f_0
- icu=70.1=h96cf925_0
- importlib-metadata=4.11.4=py310h2ec42d9_0
- importlib_resources=5.8.0=pyhd8ed1ab_0
- ipykernel=6.15.1=pyh736e0ef_0
- ipython=8.4.0=py310h2ec42d9_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.7.1=pyhd8ed1ab_0
- jedi=0.18.1=py310h2ec42d9_1
- jinja2=3.1.2=pyhd8ed1ab_1
- jpeg=9e=hac89ed1_2
- jsonschema=4.7.2=pyhd8ed1ab_0
- jupyter=1.0.0=py310h2ec42d9_7
- jupyter_client=7.3.4=pyhd8ed1ab_0
- jupyter_console=6.4.4=pyhd8ed1ab_0
- jupyter_core=4.10.0=py310h2ec42d9_0
- jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
- jupyterlab_widgets=1.1.1=pyhd8ed1ab_0
- kiwisolver=1.4.3=py310habb735a_0
- krb5=1.19.3=hb49756b_0
- lcms2=2.12=h577c468_0
- lerc=3.0=he49afe7_0
- libblas=3.9.0=15_osx64_openblas
- libbrotlicommon=1.0.9=h5eb16cf_7
- libbrotlidec=1.0.9=h5eb16cf_7
- libbrotlienc=1.0.9=h5eb16cf_7
- libcblas=3.9.0=15_osx64_openblas
- libclang=14.0.6=default_h55ffa42_0
- libclang13=14.0.6=default_hb5731bd_0
- libcxx=14.0.6=hce7ea42_0
- libdeflate=1.12=hac89ed1_0
- libedit=3.1.20191231=h0678c8f_2
- libffi=3.4.2=h0d85af4_5
- libgfortran=5.0.0=9_3_0_h6c81a4c_23
- libgfortran5=9.3.0=h6c81a4c_23
- libglib=2.72.1=hfbcb929_0
- libiconv=1.16=haf1e3a3_0
- liblapack=3.9.0=15_osx64_openblas
- libllvm14=14.0.6=h41df66c_0
- libogg=1.3.4=h35c211d_1
- libopenblas=0.3.20=openmp_hb3cd9ec_0
- libopus=1.3.1=hc929b4f_1
- libpng=1.6.37=h5a3d3bf_3
- libpq=14.4=hf6bb32a_0
- libsodium=1.0.18=hbcb3906_1
- libtiff=4.4.0=h9847915_1
- libvorbis=1.3.7=h046ec9c_0
- libwebp=1.2.2=h28dabe5_0
- libwebp-base=1.2.2=h0d85af4_1
- libxcb=1.13=h0d85af4_1004
- libzlib=1.2.12=hfe4f2af_2
- llvm-openmp=14.0.4=ha654fa7_0
- lz4-c=1.9.3=he49afe7_1
- markupsafe=2.1.1=py310h1961e1f_1
- matplotlib=3.5.2=py310h2ec42d9_0
- matplotlib-base=3.5.2=py310h4510841_0
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- metis=5.1.0=h2e338ed_1006
- mistune=0.8.4=py310he24745e_1005
- mpfr=4.1.0=h0f52abe_1
- munkres=1.1.4=pyh9f0ad1d_0
- muscle=5.1=hb339e23_1
- mysql-common=8.0.29=h924029e_1
- mysql-libs=8.0.29=h3cab752_1
- nbclient=0.6.6=pyhd8ed1ab_0
- nbconvert=6.5.0=pyhd8ed1ab_0
- nbconvert-core=6.5.0=pyhd8ed1ab_0
- nbconvert-pandoc=6.5.0=pyhd8ed1ab_0
- nbformat=5.4.0=pyhd8ed1ab_0
- ncurses=6.3=h96cf925_1
- nest-asyncio=1.5.5=pyhd8ed1ab_0
- notebook=6.4.12=pyha770c72_0
- nspr=4.32=hcd9eead_1
- nss=3.78=ha8197d3_0
- numpy=1.23.1=py310ha3f357c_0
- openjpeg=2.4.0=h6e7aa92_1
- openssl=1.1.1u=h8a1eda9_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=2.0.0=py310hecf8f37_0
- pandoc=2.18=h694c41f_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- patsy=0.5.3=pyhd8ed1ab_0
- pcre=8.45=he49afe7_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=9.2.0=py310hb3240ae_0
- ply=3.11=py_1
- prometheus_client=0.14.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.30=pyha770c72_0
- prompt_toolkit=3.0.30=hd8ed1ab_0
- psutil=5.9.1=py310h6c45266_0
- pthread-stubs=0.4=hc929b4f_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.12.0=pyhd8ed1ab_0
- pyparsing=3.0.9=pyhd8ed1ab_0
- pyqt=5.15.7=py310h57cebac_0
- pyrsistent=0.18.1=py310h1961e1f_1
- python=3.10.5=hdaaf3db_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.15.3=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=2_cp310
- pytz=2023.3=pyhd8ed1ab_0
- pyzmq=23.2.0=py310h85fb675_0
- qt-main=5.15.4=h938c29d_2
- qtconsole=5.3.1=pyhd8ed1ab_0
- qtconsole-base=5.3.1=pyha770c72_0
- qtpy=2.1.0=pyhd8ed1ab_0
- readline=8.1.2=h3899abd_0
- scipy=1.8.1=py310h1f9c157_0
- seaborn=0.12.2=hd8ed1ab_0
- seaborn-base=0.12.2=pyhd8ed1ab_0
- send2trash=1.8.0=pyhd8ed1ab_0
- setuptools=63.1.0=py310h2ec42d9_0
- sip=6.6.2=py310hd4537e4_0
- six=1.16.0=pyh6c4a22f_0
- soupsieve=2.3.1=pyhd8ed1ab_0
- sqlite=3.39.0=hd9f0692_0
- stack_data=0.3.0=pyhd8ed1ab_0
- statsmodels=0.14.0=py310hc1335a1_1
- suitesparse=5.10.1=h7aff33d_1
- tbb=2021.5.0=hbb4e6a2_1
- terminado=0.15.0=py310h2ec42d9_0
- tinycss2=1.1.1=pyhd8ed1ab_0
- tk=8.6.12=h5dbffcc_0
- toml=0.10.2=pyhd8ed1ab_0
- tornado=6.2=py310h6c45266_0
- traitlets=5.3.0=pyhd8ed1ab_0
- typing_extensions=4.6.3=pyha770c72_0
- tzdata=2022a=h191b570_0
- unicodedata2=14.0.0=py310h1961e1f_1
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.37.1=pyhd8ed1ab_0
- widgetsnbextension=3.6.1=pyha770c72_0
- xorg-libxau=1.0.9=h35c211d_0
- xorg-libxdmcp=1.1.3=h35c211d_0
- xz=5.2.5=haf1e3a3_1
- zeromq=4.3.4=he49afe7_1
- zipp=3.8.0=pyhd8ed1ab_0
- zlib=1.2.12=hfe4f2af_2
- zstd=1.5.2=ha9df2e0_2
- pip:
- matching==1.4
- pip==22.1.2
- pyqt5-sip==12.11.0
prefix: ~/opt/anaconda3/envs/PDBCleanV2