biobb-amber

View on PyPIReverse Dependencies (0)

5.0.4 biobb_amber-5.0.4-py3-none-any.whl

Wheel Details

Project: biobb-amber
Version: 5.0.4
Filename: biobb_amber-5.0.4-py3-none-any.whl
Download: [link]
Size: 81216
MD5: efb00bf2976dd7b60240ab46cb35f41f
SHA256: d4517562f56ab7b2a2b31bc00c1292869af6057c9d56df04929fd92c290673fd
Uploaded: 2025-01-21 11:38:50 +0000

dist-info

METADATA

Metadata-Version: 2.2
Name: biobb_amber
Version: 5.0.4
Summary: Biobb_amber is a BioBB category for AMBER MD package.
Author: Biobb developers
Author-Email: adam.hospital[at]irbbarcelona.org
Home-Page: https://github.com/bioexcel/biobb_amber
Project-Url: Documentation, http://biobb-amber.readthedocs.io/en/latest/
Project-Url: Bioexcel, https://bioexcel.eu/
Keywords: Bioinformatics Workflows BioExcel Compatibility MD Amber
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, <3.11
Requires-Dist: biobb_common (==5.0.0)
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: keywords
Dynamic: project-url
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary
License-File: LICENSE
[Description omitted; length: 123 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.8.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
biobb_amber/__init__.py sha256=120hyOtHj6Lak_AOR1UkWcrld9njsfBeGjltomw0wAU 338
biobb_amber/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
biobb_amber/ambpdb/__init__.py sha256=QjpJHlM6UjgIzcj0Ca4skrp99r7roxpz6FnAOIEf-NI 70
biobb_amber/ambpdb/amber_to_pdb.py sha256=IwKckp5IXo0KQyPOlbnuN327BOup0535sNhBMYFgBm0 7559
biobb_amber/ambpdb/common.py sha256=RFmuzSZScFZh9fcVbG0Txmei2orUfAlbzFB3chx3FIo 1898
biobb_amber/cphstats/__init__.py sha256=rPx3YaVRQIwM1d1IiiyH4NxkBh0ARFEhtfxrY2tRYgA 113
biobb_amber/cphstats/cestats_run.py sha256=DeSVSVoDoDaDwyOntD0v84v1L9CujmQIs20Ucs0bEg8 17875
biobb_amber/cphstats/common.py sha256=ZiKQ6-zJrfx6WXBOQJXHYlo7iA2ahygFG2AucOAMnIg 2327
biobb_amber/cphstats/cphstats_run.py sha256=khAuXRdyXSQ_--AkL-9Y-vmhol0zN5w-VSCBTPD5TFM 17827
biobb_amber/cpptraj/__init__.py sha256=UDhgmyi_dElEzXg5A6YudnVSZcDVMI7Y_TIAvrLAIQQ 91
biobb_amber/cpptraj/common.py sha256=LI9-t52ckyfdOt52mCr2lvRz6RKU5gHuS5EaXcQ2_UQ 1968
biobb_amber/cpptraj/cpptraj_randomize_ions.py sha256=PeTQmTQAvqSk_StczznBK_mAUKXUcu62NHaUDy9IxsM 11169
biobb_amber/leap/__init__.py sha256=YWY3c4YXuRFFXuizUcmh0b9dSj0WBLOZ6yTfElU1EC4 230
biobb_amber/leap/common.py sha256=lqIpMf48um5wWZUtN632pfOAuTiDtLoII2dTBOzUzYk 3289
biobb_amber/leap/leap_add_ions.py sha256=Gl34j3cq2YVu7wniqBT7rP15DUIy_Man9mGF7gB3-44 32415
biobb_amber/leap/leap_build_linear_structure.py sha256=-MMOf-sEk1qhTPm9XM6HCHvyBRZR2Tf6yOpJ_cZ98Xs 11509
biobb_amber/leap/leap_gen_top.py sha256=V4qS40pfV0Yacx_OBMMyZF0HyxMyS0IWmRctTMdBlE4 22386
biobb_amber/leap/leap_solvate.py sha256=Bu-M14VRBA8nCtAJDoLuBNo8lb842vCZQtuKr6Non7I 27459
biobb_amber/nab/__init__.py sha256=Dx3bEhPxPOsorKo8Cb6xLuk-UfCTOiMSoH3tzV_UXjY 89
biobb_amber/nab/common.py sha256=SkiapPENoJQWq2Ger4JAqp4eWzOf0QM6jEySe15ABsI 1769
biobb_amber/nab/nab_build_dna_structure.py sha256=TQDLae0Vh0MQOZOYI8C_kuWox2EI_TfrmBLFkUTdqPk 8874
biobb_amber/parmed/__init__.py sha256=Q3xINzycuLiprLThSC1_Z11zM9foE9KEzLoPJpodPNU 142
biobb_amber/parmed/common.py sha256=y_VVwtU19H-6wRld1g5N3wCEjnJq7ee8QqmXv5oulS0 1887
biobb_amber/parmed/parmed_cpinutil.py sha256=cTLeDVCnkLMmm7UGm1tnmyLiFVx5iDFbLVwnOjF9JW0 9233
biobb_amber/parmed/parmed_hmassrepartition.py sha256=lbJR_2WEsoajsWrWAeSxn6ti9eyVk7ksmEhomrGB38E 7790
biobb_amber/pdb4amber/__init__.py sha256=_9FdwXQtmadIlhw4PZXhM6-en9gsJ71d8mezE2rfAMU 76
biobb_amber/pdb4amber/common.py sha256=5uF4SUwuvWPELBNQS_qM5h1Uwr4oj_cFYApY5X6oS44 1810
biobb_amber/pdb4amber/pdb4amber_run.py sha256=iHkUEGCjcJ29h6NwW_D59xzb-lgthrsXeJ4Zr9Lvr8Y 7947
biobb_amber/pmemd/__init__.py sha256=SybVeqr0CZ1PjIyPU-YxpPI4IEevoa0qZm0vlWN7bis 67
biobb_amber/pmemd/common.py sha256=ayFmfgR6uuQo4BWV239Bp5S7aqZaPac4WYMQhMiJttU 2414
biobb_amber/pmemd/pmemd_mdrun.py sha256=cwp5WZ7SIfJO4q-8pxWxlqh9iZGN8mfBAoH86KSi6bY 25924
biobb_amber/process/__init__.py sha256=DVBNtt1GzvvvRiTsiaVCJqGuDgdzq1dhTGd5z-XOmXY 121
biobb_amber/process/common.py sha256=Oev5EjY06vtP62yUfwBYxsXj8puZhwVgFB9IoEh05hY 2986
biobb_amber/process/process_mdout.py sha256=2JFPikmSRN3TLuYQ8wZClu0bvlfIO9m4M3ZB2KkPtEQ 9588
biobb_amber/process/process_minout.py sha256=pYS26o8uHJQIWy49Lly1nbyiK2IDwkXxOMyb5zZk78c 9684
biobb_amber/sander/__init__.py sha256=Zbagi9VcjtZnSG1gfWjGgjxw--4Zwl13m8jwUcn5ubM 71
biobb_amber/sander/common.py sha256=Q1Urwu5OxsXUuEm_vzl6UgKPkkpieRNLpYRaAA8bcmU 2472
biobb_amber/sander/sander_mdrun.py sha256=gj7SQ2u0lqCYraow3xaPZGDzrcmzRaajS8ETXJXCKS4 29743
biobb_amber-5.0.4.dist-info/LICENSE sha256=WNHhf_5RCaeuKWyq_K39vmp9F28LxKsB4SpomwSZ2L0 11357
biobb_amber-5.0.4.dist-info/METADATA sha256=idkPWl8n2hgxnNP2oOdnnmqzVcgayaGu0fe4USh7baI 1203
biobb_amber-5.0.4.dist-info/WHEEL sha256=In9FTNxeP60KnTkGw7wk6mJPYd_dQSjEZmXdBdMCI-8 91
biobb_amber-5.0.4.dist-info/entry_points.txt sha256=sINagUP2tMeio3RGP_5HvbUpb9g3UXACcca0yoD9A0A 954
biobb_amber-5.0.4.dist-info/top_level.txt sha256=owMfE1goHtke6F2v_cKtVTHDzejjNpzuaci_hT0ISz0 12
biobb_amber-5.0.4.dist-info/RECORD

top_level.txt

biobb_amber

entry_points.txt

amber_to_pdb = biobb_amber.ambpdb.amber_to_pdb:main
cestats_run = biobb_amber.cphstats.cestats_run:main
cphstats_run = biobb_amber.cphstats.cphstats_run:main
cpptraj_randomize_ions = biobb_amber.cpptraj.cpptraj_randomize_ions:main
leap_add_ions = biobb_amber.leap.leap_add_ions:main
leap_build_linear_structure = biobb_amber.leap.leap_build_linear_structure:main
leap_gen_top = biobb_amber.leap.leap_gen_top:main
leap_solvate = biobb_amber.leap.leap_solvate:main
nab_build_dna_structure = biobb_amber.nab.nab_build_dna_structure:main
parmed_cpinutil = biobb_amber.parmed.parmed_cpinutil:main
parmed_hmassrepartition = biobb_amber.parmed.parmed_hmassrepartition:main
pdb4amber_run = biobb_amber.pdb4amber.pdb4amber_run:main
pmemd_mdrun = biobb_amber.pmemd.pmemd_mdrun:main
process_mdout = biobb_amber.process.process_mdout:main
process_minout = biobb_amber.process.process_minout:main
sander_mdrun = biobb_amber.sander.sander_mdrun:main