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Correct environment.yml

Thomas Forest 5 년 전
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fbf8da4ee4
6개의 변경된 파일80개의 추가작업 그리고 1개의 파일을 삭제
  1. 1 1
      README.md
  2. 79 0
      environment.yml
  3. BIN
      src/__pycache__/chem.cpython-37.pyc
  4. BIN
      src/__pycache__/geom.cpython-37.pyc
  5. BIN
      src/__pycache__/pdb.cpython-37.pyc
  6. BIN
      src/__pycache__/structure.cpython-37.pyc

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README.md 파일 보기

@@ -13,7 +13,7 @@ This program has been tested for Python 3.7.4.
13 13
 
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 ### Installing
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-Use conda to create the environnement
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+Use conda to create the environment
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 ```
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 conda env create --file environment.yml
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 ```

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environment.yml 파일 보기

@@ -0,0 +1,79 @@
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+name: dssp
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+channels:
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+  - schrodinger
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+  - defaults
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+dependencies:
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+  - _libgcc_mutex=0.1=main
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+  - apbs=1.5=h14c3975_3
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+  - asn1crypto=0.24.0=py37_0
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+  - blas=1.0=mkl
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+  - ca-certificates=2019.5.15=1
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+  - certifi=2019.6.16=py37_1
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+  - cffi=1.12.3=py37h2e261b9_0
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+  - chardet=3.0.4=py37_1003
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+  - cryptography=2.7=py37h1ba5d50_0
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+  - dbus=1.13.6=h746ee38_0
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+  - expat=2.2.6=he6710b0_0
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+  - fontconfig=2.13.0=h9420a91_0
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+  - freemol=1.158=py37_1
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+  - freetype=2.9.1=h8a8886c_1
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+  - glew=2.0.0=0
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+  - glib=2.56.2=hd408876_0
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+  - gst-plugins-base=1.14.0=hbbd80ab_1
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+  - gstreamer=1.14.0=hb453b48_1
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+  - h5py=2.9.0=py37h7918eee_0
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+  - hdf5=1.10.4=hb1b8bf9_0
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+  - icu=58.2=h9c2bf20_1
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+  - idna=2.8=py37_0
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+  - intel-openmp=2019.4=243
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+  - jpeg=9b=h024ee3a_2
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+  - libedit=3.1.20181209=hc058e9b_0
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+  - libffi=3.2.1=hd88cf55_4
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+  - libgcc-ng=9.1.0=hdf63c60_0
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+  - libgfortran-ng=7.3.0=hdf63c60_0
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+  - libglu=9.0.0=hf484d3e_1
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+  - libopenblas=0.3.6=h5a2b251_1
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+  - libpng=1.6.37=hbc83047_0
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+  - libstdcxx-ng=9.1.0=hdf63c60_0
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+  - libtiff=4.0.10=h2733197_2
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+  - libuuid=1.0.3=h1bed415_2
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+  - libxcb=1.13=h1bed415_1
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+  - libxml2=2.9.9=hea5a465_1
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+  - mengine=1=h14c3975_1
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+  - mkl=2019.4=243
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+  - mkl-service=2.3.0=py37he904b0f_0
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+  - mkl_fft=1.0.14=py37ha843d7b_0
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+  - mkl_random=1.0.2=py37hd81dba3_0
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+  - mpeg_encode=1=h14c3975_1
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+  - mtz2ccp4_px=1.0=h9ac9557_3
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+  - ncurses=6.1=he6710b0_1
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+  - numpy=1.16.4=py37h7e9f1db_0
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+  - numpy-base=1.16.4=py37hde5b4d6_0
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+  - olefile=0.46=py37_0
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+  - openssl=1.1.1d=h7b6447c_1
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+  - pcre=8.43=he6710b0_0
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+  - pdb2pqr=2.1.1=py37_1
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+  - pillow=6.1.0=py37h34e0f95_0
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+  - pip=19.2.2=py37_0
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+  - pmw=2.0.1=py37_2
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+  - pycparser=2.19=py37_0
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+  - pymol=2.3.3=py37h75f9260_0
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+  - pyopenssl=19.0.0=py37_0
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+  - pyqt=5.9.2=py37h05f1152_2
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+  - pysocks=1.7.0=py37_0
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+  - python=3.7.4=h265db76_1
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+  - qt=5.9.7=h5867ecd_1
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+  - readline=7.0=h7b6447c_5
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+  - requests=2.22.0=py37_0
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+  - rigimol=1.3=2
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+  - setuptools=41.0.1=py37_0
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+  - sip=4.19.8=py37hf484d3e_0
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+  - six=1.12.0=py37_0
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+  - sqlite=3.29.0=h7b6447c_0
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+  - tk=8.6.8=hbc83047_0
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+  - urllib3=1.24.2=py37_0
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+  - wheel=0.33.4=py37_0
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+  - xz=5.2.4=h14c3975_4
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+  - zlib=1.2.11=h7b6447c_3
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+  - zstd=1.3.7=h0b5b093_0
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+

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src/__pycache__/chem.cpython-37.pyc 파일 보기


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src/__pycache__/geom.cpython-37.pyc 파일 보기


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src/__pycache__/pdb.cpython-37.pyc 파일 보기


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src/__pycache__/structure.cpython-37.pyc 파일 보기