Réimplémentation du programme DSSP en Python

environment.yml 2.1KB

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  1. name: dssp
  2. channels:
  3. - schrodinger
  4. - defaults
  5. dependencies:
  6. - _libgcc_mutex=0.1=main
  7. - apbs=1.5=h14c3975_3
  8. - asn1crypto=0.24.0=py37_0
  9. - blas=1.0=mkl
  10. - ca-certificates=2019.5.15=1
  11. - certifi=2019.6.16=py37_1
  12. - cffi=1.12.3=py37h2e261b9_0
  13. - chardet=3.0.4=py37_1003
  14. - cryptography=2.7=py37h1ba5d50_0
  15. - dbus=1.13.6=h746ee38_0
  16. - expat=2.2.6=he6710b0_0
  17. - fontconfig=2.13.0=h9420a91_0
  18. - freemol=1.158=py37_1
  19. - freetype=2.9.1=h8a8886c_1
  20. - glew=2.0.0=0
  21. - glib=2.56.2=hd408876_0
  22. - gst-plugins-base=1.14.0=hbbd80ab_1
  23. - gstreamer=1.14.0=hb453b48_1
  24. - h5py=2.9.0=py37h7918eee_0
  25. - hdf5=1.10.4=hb1b8bf9_0
  26. - icu=58.2=h9c2bf20_1
  27. - idna=2.8=py37_0
  28. - intel-openmp=2019.4=243
  29. - jpeg=9b=h024ee3a_2
  30. - libedit=3.1.20181209=hc058e9b_0
  31. - libffi=3.2.1=hd88cf55_4
  32. - libgcc-ng=9.1.0=hdf63c60_0
  33. - libgfortran-ng=7.3.0=hdf63c60_0
  34. - libglu=9.0.0=hf484d3e_1
  35. - libopenblas=0.3.6=h5a2b251_1
  36. - libpng=1.6.37=hbc83047_0
  37. - libstdcxx-ng=9.1.0=hdf63c60_0
  38. - libtiff=4.0.10=h2733197_2
  39. - libuuid=1.0.3=h1bed415_2
  40. - libxcb=1.13=h1bed415_1
  41. - libxml2=2.9.9=hea5a465_1
  42. - mengine=1=h14c3975_1
  43. - mkl=2019.4=243
  44. - mkl-service=2.3.0=py37he904b0f_0
  45. - mkl_fft=1.0.14=py37ha843d7b_0
  46. - mkl_random=1.0.2=py37hd81dba3_0
  47. - mpeg_encode=1=h14c3975_1
  48. - mtz2ccp4_px=1.0=h9ac9557_3
  49. - ncurses=6.1=he6710b0_1
  50. - numpy=1.16.4=py37h7e9f1db_0
  51. - numpy-base=1.16.4=py37hde5b4d6_0
  52. - olefile=0.46=py37_0
  53. - openssl=1.1.1d=h7b6447c_1
  54. - pcre=8.43=he6710b0_0
  55. - pdb2pqr=2.1.1=py37_1
  56. - pillow=6.1.0=py37h34e0f95_0
  57. - pip=19.2.2=py37_0
  58. - pmw=2.0.1=py37_2
  59. - pycparser=2.19=py37_0
  60. - pymol=2.3.3=py37h75f9260_0
  61. - pyopenssl=19.0.0=py37_0
  62. - pyqt=5.9.2=py37h05f1152_2
  63. - pysocks=1.7.0=py37_0
  64. - python=3.7.4=h265db76_1
  65. - qt=5.9.7=h5867ecd_1
  66. - readline=7.0=h7b6447c_5
  67. - requests=2.22.0=py37_0
  68. - rigimol=1.3=2
  69. - setuptools=41.0.1=py37_0
  70. - sip=4.19.8=py37hf484d3e_0
  71. - six=1.12.0=py37_0
  72. - sqlite=3.29.0=h7b6447c_0
  73. - tk=8.6.8=hbc83047_0
  74. - urllib3=1.24.2=py37_0
  75. - wheel=0.33.4=py37_0
  76. - xz=5.2.4=h14c3975_4
  77. - zlib=1.2.11=h7b6447c_3
  78. - zstd=1.3.7=h0b5b093_0