biobb-amber
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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 · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
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