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rdkit-to-params

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1.2.1 rdkit_to_params-1.2.1-py3-none-any.whl

Wheel Details

Project: rdkit-to-params
Version: 1.2.1
Filename: rdkit_to_params-1.2.1-py3-none-any.whl
Download: [link]
Size: 49388
MD5: dadf0bcb440a2d0a007f1d394363dfc3
SHA256: 7ab98f1179a874d71922af7e9e336a5c5822e669a2db457f4f50d6869dc7ab90
Uploaded: 2022-05-25 18:34:53 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: rdkit-to-params
Version: 1.2.1
Summary: Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file.
Author: Matteo Ferla
Author-Email: matteo.ferla[at]gmail.com
Home-Page: https://github.com/matteoferla/rdkit_to_params
License: MIT
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >3.6
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 17316 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
rdkit_to_params/__init__.py sha256=LUHQXFSeB0AxNBQvQNrtDUVQxTBpny0MGoRRZKybX7M 17168
rdkit_to_params/_init_mixin.py sha256=-SwCGUWm9MPkmtLnuG9ilE1MAOoXmvwMPxPgZqU58_w 3119
rdkit_to_params/_io_mixin.py sha256=pbOZj5rqLyj9yhYxKMQ07O2w2i4onU7wEl6owHmIgZU 3945
rdkit_to_params/_pyrosetta_mixin.py sha256=MAo-DWvbR4z6q0QTQn2AgZ3-darYnCXLR289pHdFPdQ 3827
rdkit_to_params/constraint.py sha256=-KgcFQBLdZHsJp5hzeEkLxRqxWs3NkvgDLG-rr5L4EY 17266
rdkit_to_params/entries.py sha256=36v34R-Qp8ikw-c4fynqQphvuszE4i5qkMvf3UhhK2s 23873
rdkit_to_params/version.py sha256=TgKvoLGXA69_ua56lSOaDDDbly4k5lcoitHv9s9Vnyo 217
rdkit_to_params/cli/__init__.py sha256=31L_0ojFqO1H_w6h5USLFRh6jwsORmmx32HQmlJES9E 1114
rdkit_to_params/rdkitside/__init__.py sha256=RP6epxkxYiS2lwkGZsoa1ZKzHiyEK0MJuBTjzNSWC2U 877
rdkit_to_params/rdkitside/_rdkit_convert.py sha256=atEJ69qDaQ-XiI_SUb2Mctw1gFhOxkWmpnOnPJvMQ7E 21861
rdkit_to_params/rdkitside/_rdkit_inits.py sha256=ZV-QHQvZ3dQyl3vpYI68sqr5pYQqAgNfIY41l1vngAg 6316
rdkit_to_params/rdkitside/_rdkit_prep.py sha256=-LVcjdNPbS4VrvZP8qpzbMwrh7hx7Bagtgp0HCOKyPE 30976
rdkit_to_params/rdkitside/_rdkit_rename.py sha256=lngvrKAOqBBUzHaSRibMUxMnlsrjgT59XnMdYvfI-z4 9736
rdkit_to_params/rdkitside/utilities.py sha256=u3U6BLeHy17X31DgDEbGfeVAYfro3kP7UU9uFdexqJE 3695
tests/__init__.py sha256=b_G76CstP26InZG-2wYute3gsfEn0NbGDeZr9PGfZ5I 1614
rdkit_to_params-1.2.1.dist-info/LICENSE sha256=A3ing-meUhsRY9hooIpjJHFZDcUDvQxSRuqZU6yDNRQ 1069
rdkit_to_params-1.2.1.dist-info/METADATA sha256=x5jWedP8HKFazWFdHSdioOFtl79N7ea2IKli9AVM_U8 18155
rdkit_to_params-1.2.1.dist-info/WHEEL sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA 92
rdkit_to_params-1.2.1.dist-info/entry_points.txt sha256=H-eUpW70hzyV8xsDoyUrRdCd_9CIzZ3wrSEeUfIgeVc 64
rdkit_to_params-1.2.1.dist-info/top_level.txt sha256=oiGGryzzSOSIUq1xuCfHIsrk4WMkN_kyQkiaCxpyKFM 22
rdkit_to_params-1.2.1.dist-info/RECORD — —

top_level.txt

rdkit_to_params
tests

entry_points.txt

[console_scripts]
smiles-to-params = rdkit_to_params.cli:smiles