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mutadock

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1.9.3 mutadock-1.9.3-py2.py3-none-any.whl

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Project: mutadock
Version: 1.9.3
Filename: mutadock-1.9.3-py2.py3-none-any.whl
Download: [link]
Size: 49372
MD5: 2c841faa55b26532fa379a34e8ec0cef
SHA256: 89bd224572908f6b550d86c220c344da94211c464fbdc12524cabae25f609e62
Uploaded: 2024-09-27 15:30:04 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: mutadock
Version: 1.9.3
Summary: MUTADOCK is a comprehensive library designed for mutation studies and multiple receptor-ligand docking. Refer to README for more information.
Author-Email: Naisarg Patel <naisarg.patel14[at]hotmail.com>
Project-Url: Repository, https://github.com/naisarg14/mutadock
Project-Url: Issues, https://github.com/naisarg14/mutadock/issues
Project-Url: Documentation, https://mutadock.readthedocs.io/en/latest/
License: GPL-3.0
Keywords: Bioinformatics,Biology,Docking,Mutation
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Education
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Dist: biopython (==1.84)
Requires-Dist: meeko (==0.5.0)
Requires-Dist: numpy (>=2.1.1)
Requires-Dist: pandas (==2.2.2)
Requires-Dist: pyarrow (==17.0.0)
Requires-Dist: pyrosetta-installer (==0.1.1)
Requires-Dist: tqdm (>=4.66.5)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 8341 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.25.0
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
docking/__init__.py sha256=r4SJLy9BRWIsj6o_kHYWJw7MVKmj7qxcDwrMLVc-uu8 3001
docking/np_docking.py sha256=kb0Ux9-ntCerx4FgJrhMX1ti9OyG2X227EsFx7O-Fhw 10277
docking/vina_dock.py sha256=SPL33nX26IGo8NMX3TJT1uw1-ndGDWNk3USuTQRmCe4 4523
docking/vina_helper.py sha256=m90rme6OM5rbXcU5dkjml00PkCaqCaCO-pwAXRrjZE8 14545
mutation/Amino.py sha256=uH3eh0KR1KaySwyghmEJuzmU_8qHVXbmy8l49QGoVtM 17388
mutation/__init__.py sha256=r4SJLy9BRWIsj6o_kHYWJw7MVKmj7qxcDwrMLVc-uu8 3001
mutation/csv_generator.py sha256=swfBDi_2nvK8g6D17BEbPNA_kInC9FFIqLvTQtm4tpc 5955
mutation/csv_sort.py sha256=eK4W_dmxzqIiwEcVXyR_P01PtoFRW021hpgqlPgbL-c 4770
mutation/ddg_calc.py sha256=bUV7UxIMBRTO2hnOtWySXVU28eZYwdbOTpH0XFA6yDE 6353
mutation/ddg_calc_double.py sha256=XAt14FdFlg3mTJJ-bTq5JJ01M7hkTLal2k7k7BDDugc 7757
mutation/ddg_calc_triple.py sha256=29YPqxnMQ_xFsF-XrhD3sjt7gx1acd6bayB736TFHVo 8919
mutation/generate_mutants.py sha256=yMknManoMg2e9m3AzRVj76x0UyOOAymwyIrp2TQHCDY 7359
mutation/helpers.py sha256=_m5PxMPAjK4hQig-KtDxCcIK0r49B5oj82G-anWNJZA 4887
mutation/install_dependencies.py sha256=_yYC1jW47cE8r5XcnaFAINRyQNZ4YYZld_ihDUZwEqQ 1125
mutation/np_mutation.py sha256=wzGNniad5K3T5aYeax9gugj8G8tsaBedAlvghaWtOs4 10905
mutation/predict_ddG.py sha256=_GiuTaXc6JHBWRjLeB-o1wKn_tP_yA9g3MBbr2eyMIQ 3766
mutadock-1.9.3.dist-info/METADATA sha256=qClHKUfR_KVhsBZ6-6acGt5L6ldTgCFp0mGmqtOB7Hw 9780
mutadock-1.9.3.dist-info/WHEEL sha256=fl6v0VwpzfGBVsGtkAkhILUlJxROXbA3HvRL6Fe3140 105
mutadock-1.9.3.dist-info/entry_points.txt sha256=31VEdp-vxl2mY_SOIfIkHV6QgRmTSxVZgK60lkuEehY 410
mutadock-1.9.3.dist-info/licenses/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
mutadock-1.9.3.dist-info/RECORD — —

entry_points.txt

[console_scripts]
md_csv_generator = mutation.csv_generator:main
md_csv_sort = mutation.csv_sort:main
md_ddg_double = mutation.ddg_calc_double:main
md_ddg_single = mutation.ddg_calc:main
md_ddg_triple = mutation.ddg_calc_triple:main
md_dock = docking.np_docking:naisarg
md_install_dependencies = mutation.install_dependencies:main
md_mutate = mutation.np_mutation:naisarg
md_vina_dock = docking.vina_dock:main