RosettaPy

View on PyPIReverse Dependencies (0)

0.2.11.post1 rosettapy-0.2.11.post1-py3-none-any.whl

Wheel Details

Project: RosettaPy
Version: 0.2.11.post1
Filename: rosettapy-0.2.11.post1-py3-none-any.whl
Download: [link]
Size: 90249
MD5: 34aab38530611eeb45d9986fcd08a120
SHA256: 769dae8e07429897a7c6b9be75221614c2303030203002ca99b2ba4a6fd4ac33
Uploaded: 2024-11-28 07:20:45 +0000

dist-info

METADATA

Metadata-Version: 2.3
Name: RosettaPy
Version: 0.2.11.post1
Summary: A Python utility for wrapping Rosetta command line tools.
Author-Email: Yinying Yao <yaoyy.hi[at]gmail.com>
Project-Url: Documentation, https://github.com/YaoYinYing/RosettaPy/tree/main#readme
Project-Url: Source, https://github.com/YaoYinYing/RosettaPy
Project-Url: Tracker, https://github.com/YaoYinYing/RosettaPy/issues
Classifier: Development Status :: 6 - Mature
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3 :: Only
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
Requires-Python: >=3.8
Requires-Dist: joblib
Requires-Dist: absl-py
Requires-Dist: pandas
Requires-Dist: biopython
Requires-Dist: rdkit
Requires-Dist: numpy (<3,>=1.20.3)
Requires-Dist: matplotlib
Requires-Dist: docker (>=7.1.0)
Requires-Dist: gitpython
Requires-Dist: dm-tree
Requires-Dist: joblib-progress
Requires-Dist: pyspark (>=3.0.0); extra == "spark"
Requires-Dist: bandit[toml] (==1.7.10); extra == "test"
Requires-Dist: black (<=24.10.0); extra == "test"
Requires-Dist: check-manifest (<=0.50); extra == "test"
Requires-Dist: flake8-bugbear (==24.10.31); extra == "test"
Requires-Dist: flake8-docstrings; extra == "test"
Requires-Dist: flake8-formatter_junit_xml; extra == "test"
Requires-Dist: flake8; extra == "test"
Requires-Dist: flake8-pyproject; extra == "test"
Requires-Dist: pylint (==3.2.7); extra == "test"
Requires-Dist: pylint_junit; extra == "test"
Requires-Dist: pytest-cov (<=6.0.0); extra == "test"
Requires-Dist: pytest-mock (<3.14.1); extra == "test"
Requires-Dist: pytest-runner; extra == "test"
Requires-Dist: pytest (<=8.3.3); extra == "test"
Requires-Dist: pytest-order; extra == "test"
Requires-Dist: pytest-github-actions-annotate-failures; extra == "test"
Requires-Dist: shellcheck-py (==0.10.0.1); extra == "test"
Requires-Dist: pre-commit; extra == "test"
Requires-Dist: virtualenv (<=20.28.0); extra == "test"
Provides-Extra: spark
Provides-Extra: test
Description-Content-Type: text/markdown
[Description omitted; length: 22899 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.10.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
RosettaPy/__init__.py sha256=Ftn2DBUVZNw9u7WlEvrN9F0GHnd5jrpU_YXiXxKstDE 571
RosettaPy/rosetta.py sha256=IwAgPqNXO4MAAzsM0SHXrFh-nJR1zum3o-psXiyoiuI 12928
RosettaPy/rosetta_finder.py sha256=OfHZkCnDx_tvtpmQb8rb50ND-7F1oCqiLAglTCAI66w 8485
RosettaPy/analyser/__init__.py sha256=JpIfIjfA4cbaI2DjEMLydlZc1MicTmEks2eSwLeAJYw 202
RosettaPy/analyser/ddg.py sha256=Jndcx9yLBwPfeBOnjI-u_l5FhUnBmhTrr4E6V2b_Leo 12638
RosettaPy/analyser/reu.py sha256=7zQhnDKQdZr7j9e8bIB4mFSTeytuLISmS18O0OToD2c 4366
RosettaPy/app/__init__.py sha256=p2-aoovKY05DthXZ2zv_-gB1HOcY4pRRxNqOfdkaDRw 211
RosettaPy/app/cart_ddg.py sha256=jpuOKsDICzAgO4UC9vpfbdFjM5v8vZte5mZzMDjVzfs 6789
RosettaPy/app/fastrelax.py sha256=4022Nr65MU2o3rYSsrLTpiTmfrVvPmsaGlrgKqK0eNc 7283
RosettaPy/app/mutate_relax.py sha256=WhG26WKeZ8LLfqnMseoFFm7hA8pOxwpTVUzN1ft0ZIw 7487
RosettaPy/app/pross.py sha256=fkGwAC4T2zBM5VpRD0Zrd6SvZoMxie8hZe_pxQ_KHnM 14210
RosettaPy/app/rosettaligand.py sha256=Jj4R3AAAf_pFmbQ9nJCR2DBA6xJtqfXZsA-LgnqHpK0 8114
RosettaPy/app/supercharge.py sha256=1GazvePREXZu-hH9zRvuhg7jgWGdSvuy56JxoT6V63c 3850
RosettaPy/app/deps/cart_ddg/flags/cart2.script sha256=HH67bvkhx3xdFynJ-nNl_tiu6ZQVxrcpnzJCGVii_RI 207
RosettaPy/app/deps/cart_ddg/flags/ddG.options sha256=zt6J_2h9JcP_WJGzJK6pwyA6QluCImHfT3hSs06X7Sk 117
RosettaPy/app/deps/cart_ddg/flags/ddG_relax.flag sha256=u5nXai0WREfcdy64F04RcBjN5YrKoRpzLLe_jqVLDHs 269
RosettaPy/app/deps/cart_ddg/flags/flags sha256=0e_y8W3XQHVitqp16oyxU6ClyyERD2sAqO6y1vL_7gM 285
RosettaPy/app/deps/fastrelax/flags/fastrelax.example.flag sha256=RKnksZA8H-y7PixW_BTmL082nPCQIPEqDSzB-M3V1Zk 2073
RosettaPy/app/deps/mutate_relax/flags/cluster_scoring.flags sha256=ZM8XHOT6LYhTKA3xTwFXSxgZSyKp3tt7zGwzKWOvYTI 164
RosettaPy/app/deps/mutate_relax/xml/mutant_validation_temp.xml sha256=0UWYkj4pvR4BAqpES63j9cQRDlNxy4SddNdfCekArxA 1096
RosettaPy/app/deps/pross/flags/flags_nodelay sha256=CgY-l3szRXQljB2lMxNHOJYvYmFGrD1YFMFI4s-Z-nI 654
RosettaPy/app/deps/pross/xmls/design_new.xml sha256=k6IKlVCktWrcD9e1WW8Wkn3NebLsREib1EJ_DaofYLE 3266
RosettaPy/app/deps/pross/xmls/filterscan_parallel.xml sha256=v5IY9rtKJ-rGn8KJ9BPCpA7RNsCIYXyWrQoQscV5IqM 2134
RosettaPy/app/deps/pross/xmls/refine.xml sha256=6tzuVYZc7spNy11Xd4JkLqNQCq-GGCgnM-5YFPAxRzw 3108
RosettaPy/app/deps/rosettaligand/flags/rosetta_ligand.flags sha256=Tg1tihy9Y2HOqflSBW0f5n6ilt7G9PkByClW5CP1iT8 129
RosettaPy/app/deps/rosettaligand/xmls/rosetta_ligand.xml sha256=g_Mjx5YTNFZh-M2xeoT_AZpuAxNFAmmuV1nf2UtFWJc 2814
RosettaPy/app/utils/CA_constraints.py sha256=kNi674eX1Oxiwp-KF1w3LU60aUg5woegoyRbR0CGODE 2360
RosettaPy/app/utils/__init__.py sha256=yJneCBoHsJSo8iMy0_8nVril-NHmh9TsD5IOyIPdz60 112
RosettaPy/app/utils/smiles2param.py sha256=vOBlga9KvsmGs9Vq8BiVAO1lQ-AIKRMDWcQ11VtFUug 19578
RosettaPy/common/__init__.py sha256=0zCO5j782P8Y3VofiQL6LoXYlbdwlI-ERWKFkApvcRI 255
RosettaPy/common/mutation.py sha256=OqtQ3cv9x_7pnS5gcrM3kaPz1bpBW9tRHSIaCTxXA4E 19894
RosettaPy/node/__init__.py sha256=yfXXLiI1nq1Yi-PJH5mguBXQ5-kyTt4_Kzw9JPm1Z-I 4286
RosettaPy/node/dockerized.py sha256=5nP-EBVQcKdOUvDnczDI6K3K_xhVafZnUo_1ZT7Q8WM 10741
RosettaPy/node/mpi.py sha256=_5ZuBX-2D4Dz61WPCUke68hwct5Jza2A1EDcgDUeje4 9321
RosettaPy/node/native.py sha256=uIGhdyCSYO1z9Dq8L5hKChqf8fr8143DeH78k3tkfw0 2276
RosettaPy/node/utils.py sha256=Nc4vfESJ6imksAg_i8AP8W1gZiCIBzL0vczlbyrdny8 9574
RosettaPy/node/wsl.py sha256=dkivtWEqfd6TjX9Fa-ct_pu3WguBMQNcv0M7ZdHAqKw 7199
RosettaPy/utils/__init__.py sha256=g52vKr0fxg-bq9hZ_bpCNJRkD44Qn9AVPPpuKEHxJbg 841
RosettaPy/utils/escape.py sha256=78X35-UU8Da7rPqc_VtjPpyZxVYlk6Ft2YLwZd6mI3Q 6474
RosettaPy/utils/escape.pyi sha256=KZUOHPVxvT8qF8FaqLK6Rz52mogYzDiIEaWwURZly0Y 2794
RosettaPy/utils/repository.py sha256=Di-YHpGkNIa5yLhL3lncVIprSW13XMjcR-g16RVZQEM 14400
RosettaPy/utils/task.py sha256=VlBNa9QtF6NQX25Id4O3hm3Yz7h6UHUNW-mHWCNAsW8 9745
RosettaPy/utils/tools.py sha256=0BUHDzFfsbof_1v3prsnhRzlpscId4P6hs8qLrqS7UU 7035
rosettapy-0.2.11.post1.dist-info/entry_points.txt sha256=jARhZQYHJrlWmUCNpfIYl_L7eFP_vSnrXinYEVgdbaM 47
rosettapy-0.2.11.post1.dist-info/LICENSE sha256=ws_MuBL-SCEBqPBFl9_FqZkaaydIJmxHrJG2parhU4M 1141
rosettapy-0.2.11.post1.dist-info/WHEEL sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI 82
rosettapy-0.2.11.post1.dist-info/METADATA sha256=9NLjwUDi5soNv58yl2weqJj16CV_qIG5TsTjMsQdJE4 25272
rosettapy-0.2.11.post1.dist-info/RECORD

entry_points.txt

whichrosetta = RosettaPy:main