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biobb-chemistry

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4.1.0 biobb_chemistry-4.1.0-py3-none-any.whl

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Project: biobb-chemistry
Version: 4.1.0
Filename: biobb_chemistry-4.1.0-py3-none-any.whl
Download: [link]
Size: 44723
MD5: 4125342ff7a21a4b2d621399391a4733
SHA256: 72c648bdb6018681c1c9315ae6be3ec107dac0a483d1c591c9301893c798b5ae
Uploaded: 2023-09-06 13:45:13 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: biobb-chemistry
Version: 4.1.0
Summary: Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.
Author: Biobb developers
Author-Email: genis.bayarri[at]irbbarcelona.org
Home-Page: https://github.com/bioexcel/biobb_chemistry
Project-Url: Documentation, https://biobb-chemistry.readthedocs.io/en/latest/
Project-Url: Bioexcel, https://bioexcel.eu/
Keywords: Bioinformatics Workflows BioExcel Compatibility
Classifier: Development Status :: 3 - Alpha
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Requires-Python: >=3.8
Requires-Dist: biobb-common (==4.1.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 5422 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.38.4)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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biobb_chemistry/acpype/__init__.py sha256=UcCMMPq_aeiP-iFj5x7frTPC60FQa-z_docSKkkQkNo 115
biobb_chemistry/acpype/acpype_params_ac.py sha256=Gid57M4IZW6T3C7SUSlEth0uXeQDREHaEDLYf2FnYCM 11692
biobb_chemistry/acpype/acpype_params_cns.py sha256=asMugRm4NCKo0ZDNx2hhZn3zgGCvCbqUI2jkcXA7xHI 10624
biobb_chemistry/acpype/acpype_params_gmx.py sha256=pwbCRPQI8EMjQbM0x_viBLGDTX6F95hzrsEhoC-1ZMQ 10652
biobb_chemistry/acpype/acpype_params_gmx_opls.py sha256=K_3hpaz5AEB46TPRbwK5T8lq_2MiPhYQ-DVqN4HsgFk 9951
biobb_chemistry/acpype/common.py sha256=mo8gPLutLZCwowzJ1ZyLJGuzHHWHolV16oHVEK74oGs 5952
biobb_chemistry/ambertools/__init__.py sha256=FAK1jEPPT-n_LZP9WSt5ezk8hrdFQL6OcLKIkXHe0B0 82
biobb_chemistry/ambertools/common.py sha256=4XkGZkDq7sGQWu3NwuE_C_2MLgRjt24FFxxgDEMmDtg 1940
biobb_chemistry/ambertools/reduce_add_hydrogens.py sha256=s9zQStozzxlqzNN43pBB_lo1INrk001tUVrVMkhyZDY 11314
biobb_chemistry/ambertools/reduce_remove_hydrogens.py sha256=hrtks5S4hu6Azx7mSf5ITtVkrtYYpckh7dEaczWyDY8 7059
biobb_chemistry/babelm/__init__.py sha256=TEcargmJdQ2JLFrc_Ulz8v9ZV5RGI1Iva7vRH-744o0 111
biobb_chemistry/babelm/babel_add_hydrogens.py sha256=I4_1-uJi6mCWzgd5XLI3M1U9UjaDaJO5YZeYyVS0Pco 12095
biobb_chemistry/babelm/babel_convert.py sha256=otuR7wIbRBHaedyFJJTuFdKxBbcKXX5kF6Cbe1kz6dg 12124
biobb_chemistry/babelm/babel_minimize.py sha256=E8QQl7XqfapBnaK0zSQBKcBrS7bDkbmw3I74huGDupo 9947
biobb_chemistry/babelm/babel_remove_hydrogens.py sha256=e6MvbmkHYLyIb2Q3ma97ZJYM4mUhDrtXpOnCyWv7B8Y 12135
biobb_chemistry/babelm/common.py sha256=rVsKtXqDbofPDna4sN9E9iVO09t3GdtLoJXWT7PWq_0 8059
biobb_chemistry/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
biobb_chemistry-4.1.0.dist-info/LICENSE sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA 11358
biobb_chemistry-4.1.0.dist-info/METADATA sha256=77mep262MikPv0BU3DLz1srbqqFTxcDl1G6uMAT9N9w 6369
biobb_chemistry-4.1.0.dist-info/WHEEL sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo 92
biobb_chemistry-4.1.0.dist-info/entry_points.txt sha256=iBBZB8cyQTYXo_u-r8lzyRQ42tG5IzX04qTQkLgkCxI 712
biobb_chemistry-4.1.0.dist-info/top_level.txt sha256=gutkZn71ctwt166O6gS-7dV9ewYRLnq7iOK0U0NGOWY 16
biobb_chemistry-4.1.0.dist-info/RECORD — —

top_level.txt

biobb_chemistry

entry_points.txt

[console_scripts]
acpype_params_ac = biobb_chemistry.acpype.acpype_params_ac:main
acpype_params_cns = biobb_chemistry.acpype.acpype_params_cns:main
acpype_params_gmx = biobb_chemistry.acpype.acpype_params_gmx:main
acpype_params_gmx_opls = biobb_chemistry.acpype.acpype_params_gmx_opls:main
babel_add_hydrogens = biobb_chemistry.babelm.babel_add_hydrogens:main
babel_convert = biobb_chemistry.babelm.babel_convert:main
babel_minimize = biobb_chemistry.babelm.babel_minimize:main
babel_remove_hydrogens = biobb_chemistry.babelm.babel_remove_hydrogens:main
reduce_add_hydrogens = biobb_chemistry.ambertools.reduce_add_hydrogens:main
reduce_remove_hydrogens = biobb_chemistry.ambertools.reduce_remove_hydrogens:main