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biobb-md

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3.7.2 biobb_md-3.7.2-py3-none-any.whl

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Project: biobb-md
Version: 3.7.2
Filename: biobb_md-3.7.2-py3-none-any.whl
Download: [link]
Size: 49022
MD5: 87dc740eb58571156d44541dc5425416
SHA256: 24f9bddaef8ba8d176ab9487e77e0403d3db3a5f12bee1d3c84774d07d79a8fd
Uploaded: 2022-09-27 10:05:01 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: biobb-md
Version: 3.7.2
Summary: Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package. Biobb_md 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_md
Project-Url: Documentation, http://biobb_md.readthedocs.io/en/latest/
Project-Url: Bioexcel, https://bioexcel.eu/
Keywords: Bioinformatics Workflows BioExcel Compatibility
Classifier: Development Status :: 3 - Alpha
Classifier: Programming Language :: Python :: 3.7
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Requires-Python: ==3.7.*
Requires-Dist: biobb-common (==3.7.0)
Description-Content-Type: text/markdown
[Description omitted; length: 3013 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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biobb_md/gromacs/__init__.py sha256=587UMUh1yToy_yr4BHAhgNjIEHH2uqX6E4i3EK5ELfw 143
biobb_md/gromacs/common.py sha256=Fp7B4TU5vsqes1vJG_jL1S3yAi--Z_by4S4lN2C9jm8 8711
biobb_md/gromacs/editconf.py sha256=szQcfyQg6Okg5Q_s8MpSsALSk6hfQWHZvHWm-R0snyM 7663
biobb_md/gromacs/genion.py sha256=wMhZcPipd2u5Fm5wo6y4HvmIAyYjFIhxByHT6kRTAnk 10545
biobb_md/gromacs/genrestr.py sha256=5LJ3anAG46KMb3nplkaMSxHgTeXBB_zZWVBZEUCug2I 8128
biobb_md/gromacs/gmxselect.py sha256=5C5jDWq04X5UOt6KYa3MEvSrz2tTyfMw-upxf-BvnQE 8647
biobb_md/gromacs/grompp.py sha256=Szuf4zPxHJ4jM0Xa39qrz0qc2jn0P5gKH4d7X2VXNjI 13761
biobb_md/gromacs/grompp_mdrun.py sha256=UgdlefG0W0QkeYqX-NMQmpPPdPQC31NgoGaGQLG7VJg 15461
biobb_md/gromacs/make_ndx.py sha256=VAs-LeaZ83gBWUq1vkM8UM0AIgpaL6qfVJkC9_2BzCA 7677
biobb_md/gromacs/mdrun.py sha256=3auK8FiDMZRAPXbE1V3MUnoLD9tiBr0VNVw9s7X1T1s 15177
biobb_md/gromacs/pdb2gmx.py sha256=eVnmRDaueGQ4O7xTnquRXCgwZRFrgCkCWyVEZmSP-ss 9736
biobb_md/gromacs/solvate.py sha256=5txDd5sdvF9a2HPeZQgmLmU3Fir6nNLJaAnS_mX1zP8 9798
biobb_md/gromacs_extra/__init__.py sha256=702_rG61j7kZMV5UPvcrPngw4WmMjTPsCrWLE_zlpqg 65
biobb_md/gromacs_extra/append_ligand.py sha256=DaamvztQYjTMpyg23pT2F48hdcqfewbblgI1c4cbp44 9019
biobb_md/gromacs_extra/ndx2resttop.py sha256=PymO4T5I0KIZLbanLpkF3IMpsO4bE86BNWi4PbN7BrE 9148
biobb_md/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
biobb_md-3.7.2.dist-info/LICENSE sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA 11358
biobb_md-3.7.2.dist-info/METADATA sha256=lduq12EbX-yKlJBOc7jOXtYEmVm3BgT1XrBxwNqfN1Q 3924
biobb_md-3.7.2.dist-info/WHEEL sha256=OqRkF0eY5GHssMorFjlbTIq072vpHpF60fIQA6lS9xA 92
biobb_md-3.7.2.dist-info/entry_points.txt sha256=WLSG7FZNi1lPpfWOsUBZnDKJc3GUxuQj8XY5pBM4PT4 543
biobb_md-3.7.2.dist-info/top_level.txt sha256=xALVxz6J8nNlH-hPUmobykaSrQAD0Amrp38kRp7ofgI 9
biobb_md-3.7.2.dist-info/RECORD — —

top_level.txt

biobb_md

entry_points.txt

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