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meeko

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0.6.0 meeko-0.6.0-py3-none-any.whl

Wheel Details

Project: meeko
Version: 0.6.0
Filename: meeko-0.6.0-py3-none-any.whl
Download: [link]
Size: 277386
MD5: af307f0c3b90b5a1b26a624656d86c8f
SHA256: b974262ad45be5a1a49c0bf396bffb8919a2747c9091fa2612d45a3a12b7f842
Uploaded: 2024-11-11 18:40:37 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: meeko
Version: 0.6.0
Summary: Python package for preparing small molecule for docking
Author: Forli Lab
Author-Email: forli[at]scripps.edu
Home-Page: https://github.com/ccsb-scripps/meeko
License: LGPL-2.1
Keywords: molecular modeling,drug design,docking,autodock
Classifier: Environment :: Console
Classifier: Environment :: Other Environment
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: OS Independent
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: C++
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries
Requires-Python: >=3.9, <3.12
Requires-Dist: numpy (>=1.18)
Requires-Dist: rdkit
Requires-Dist: scipy
Requires-Dist: gemmi
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2221 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.3.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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meeko/flexibility.py sha256=aLZUbY6g2NFlvFjDX3g6XXZYhVX2qXwCK4dP_PGEx0E 16423
meeko/gridbox.py sha256=AIMy9aT16hy1SPCzL8WR_nIym6mPga4fSre8VPy6OVc 6237
meeko/hydrate.py sha256=RGIXF5r3vDBRbMbkOwurIPoO_72zPXgMJ0M1L6EsBv0 16067
meeko/macrocycle.py sha256=4XfvILd7pGVl8vWGC5HMoocn7n9w2lolrJ5yhv4p10s 12802
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meeko/molsetup.py sha256=GQAKqhrXJ2ZjBt1S8EbdAQ7QrHfTIcJzdw-CpJzXEgU 85652
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meeko/writer.py sha256=zs8DKub1E3ryhJfOxoO4P2smtMyp80tzzlBQv4DrG1o 29417
meeko/analysis/__init__.py sha256=L7LOA6QBHpq7igWNOqYRs_ibF1D2NFTVRxELF3OaZeU 413
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meeko-0.6.0.dist-info/RECORD — —

top_level.txt

meeko

entry_points.txt

[console_scripts]
mk_export.py = meeko.cli.mk_export:main
mk_prepare_ligand.py = meeko.cli.mk_prepare_ligand:main
mk_prepare_receptor.py = meeko.cli.mk_prepare_receptor:main