Wheelodex » Projects » moldock

moldock

View on PyPI — Reverse Dependencies (0)

0.1.3 moldock-0.1.3-py3-none-any.whl

Wheel Details

Project: moldock
Version: 0.1.3
Filename: moldock-0.1.3-py3-none-any.whl
Download: [link]
Size: 22126
MD5: cc989074f35f125e37275a414e75ae6a
SHA256: f7fb9c89ba834dafe8a55476186726480d63728d223474c5e15e2e3f9f9d9fc5
Uploaded: 2023-03-28 08:23:55 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: moldock
Version: 0.1.3
Summary: Python moldock to facilitate molecular docking
Author: Pavel Polishchuk
Author-Email: pavel_polishchuk[at]ukr.net
Home-Page: https://github.com/ci-lab-cz/docking-scripts
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.6
Requires-Dist: rdkit (>=2017.09); extra == "rdkit"
Provides-Extra: rdkit
Description-Content-Type: text/markdown
[Description omitted; length: 2838 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.34.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
moldock/__init__.py sha256=uZsygMXMKRw-7qhWojAjnpm8GFPXU92xW6XA8O5GwFY 22
moldock/create_pbs_jobs.py sha256=-Lagjoz4RhOzCxLL-3LCQXImFuU-HEigYlDhSVhcik0 2507
moldock/gen_pdbqt.py sha256=ouypru_ju-xW7jBH_UNRqFNxst-xkEETJNIvkmYDsB8 890
moldock/get_sdf_from_dock_db.py sha256=meSRPrbcgBlOhEfXNqR_ADL0Hep7paPINWY6LL0zzwM 5973
moldock/gnina_dock.py sha256=FTu1y5D3CTy7n-zF7Wdk1Cc_89DFMOGAkQPMXbTibrg 17563
moldock/preparation_for_docking.py sha256=e-vy8M7Orq4hXgWSuaeJEThVxus-sXDLQjGSmJKbh2s 12679
moldock/read_input.py sha256=8DBNyGGxe9sOCHsTTk1cNfO0BxWsQtc_ladqUggsnCQ 7491
moldock/vina_dock.py sha256=ibPdKOzkr8dTy53eU-284XGlbo3Q_aHN4cv1U-mdIlE 14628
moldock-0.1.3.dist-info/METADATA sha256=dGv9eTL8ujXS85GvswxjpFPnL9yZmICg42YPk-uEcmU 3453
moldock-0.1.3.dist-info/WHEEL sha256=g4nMs7d-Xl9-xC9XovUrsDHGXt-FT0E17Yqo92DEfvY 92
moldock-0.1.3.dist-info/entry_points.txt sha256=bFlpUvZvQWjehb_mYhixH2wsrihuGlsuRlL-bl8Cv5Y 148
moldock-0.1.3.dist-info/top_level.txt sha256=fQoISp0n7MfZmB0jYtLurN5HRrHy3Edj3gNvCE_7L5U 8
moldock-0.1.3.dist-info/RECORD — —

top_level.txt

moldock

entry_points.txt

[console_scripts]
get_sdf_from_dock_db = moldock.get_sdf_from_dock_db:main
gnina_dock = moldock.gnina_dock:main
vina_dock = moldock.vina_dock:main