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biobb-gromacs

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5.0.0 biobb_gromacs-5.0.0-py3-none-any.whl

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Project: biobb-gromacs
Version: 5.0.0
Filename: biobb_gromacs-5.0.0-py3-none-any.whl
Download: [link]
Size: 53910
MD5: 74c8e6001797f30dc1bb6fa8d446d031
SHA256: d4c94438447437fc7943662e35cfc928cd324983c043fbaaadcfa501bedcf4e5
Uploaded: 2024-11-20 08:54:34 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: biobb_gromacs
Version: 5.0.0
Summary: biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations.
Author: Biobb developers
Author-Email: pau.andrio[at]bsc.es
Home-Page: https://github.com/bioexcel/biobb_gromacs
Project-Url: Documentation, http://biobb-gromacs.readthedocs.io/en/latest/
Project-Url: Bioexcel, https://bioexcel.eu/
Keywords: Bioinformatics Workflows BioExcel Compatibility
Classifier: Development Status :: 5 - Production/Stable
Classifier: Programming Language :: Python :: 3.9
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Requires-Python: >=3.9
Requires-Dist: biobb-common (==5.0.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 5909 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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biobb_gromacs/gromacs/genrestr.py sha256=OMX1sbVRA3feTT3Sval5cyIdseoWiHqBVJKr0VrTjSo 8929
biobb_gromacs/gromacs/gmxselect.py sha256=cRnxAPpZlNm85ZAZC508IuwS_HThcCYCwSUrlslZhLU 8597
biobb_gromacs/gromacs/grompp.py sha256=gXV8__-gVHUfZ-w8_fyZ5caZ5rUjcRIpe_QZwYzGkBs 13037
biobb_gromacs/gromacs/grompp_mdrun.py sha256=Cd94A7G9lijHp7VpSXr7yYY7Ke55-4q8Xj0cgjp4b80 16473
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biobb_gromacs/gromacs/trjcat.py sha256=iRMrv_ph_O4K1TBHnNVSIMATtnezrIfJbtsieZ3tDLk 7667
biobb_gromacs/gromacs_extra/__init__.py sha256=OWL3oM9u0HbV4-oCoKRhl5H3xIZK6GwrpPvqanxx3cc 121
biobb_gromacs/gromacs_extra/append_ligand.py sha256=0w4KHCOOEGBahzy14FZyH9IxSYMMraZaE3Tsxtiavyg 9962
biobb_gromacs/gromacs_extra/ndx2resttop.py sha256=IQtOEM_x2N3Cnw5KhlAfdK_-YFmsQpxk0jkvvUIPMpU 9469
biobb_gromacs/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
biobb_gromacs-5.0.0.dist-info/LICENSE sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA 11358
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biobb_gromacs-5.0.0.dist-info/entry_points.txt sha256=4sXXMDIhUN06D3dd7_JC03eRvoZjfcxm2ccn4OU91PE 645
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biobb_gromacs-5.0.0.dist-info/RECORD — —

top_level.txt

biobb_gromacs

entry_points.txt

[console_scripts]
append_ligand = biobb_gromacs.gromacs_extra.append_ligand:main
editconf = biobb_gromacs.gromacs.editconf:main
genion = biobb_gromacs.gromacs.genion:main
genrestr = biobb_gromacs.gromacs.genrestr:main
gmxselect = biobb_gromacs.gromacs.gmxselect:main
grompp = biobb_gromacs.gromacs.grompp:main
grompp_mdrun = biobb_gromacs.gromacs.grompp_mdrun:main
make_ndx = biobb_gromacs.gromacs.make_ndx:main
mdrun = biobb_gromacs.gromacs.mdrun:main
ndx2resttop = biobb_gromacs.gromacs_extra.ndx2resttop:main
pdb2gmx = biobb_gromacs.gromacs.pdb2gmx:main
solvate = biobb_gromacs.gromacs.solvate:main
trjcat = biobb_gromacs.gromacs.trjcat:main