crimm

View on PyPIReverse Dependencies (0)

2024.7a2 crimm-2024.7a2-py3-none-any.whl

Wheel Details

Project: crimm
Version: 2024.7a2
Filename: crimm-2024.7a2-py3-none-any.whl
Download: [link]
Size: 940724
MD5: d509b7407fca76c062dd3ef18dde36ac
SHA256: 7feaead1768d0fc9f7fd4090556f4fcde17f6b65c8a2faca4a83a2ae8ac7c527
Uploaded: 2024-07-30 17:08:18 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: crimm
Version: 2024.7a2
Summary: Chemistry with the ReInvented Macromolecular
Author-Email: Truman Xu <ziqiaoxu[at]umich.edu>
Project-Url: Homepage, https://github.com/Truman-Xu/crimm
Project-Url: Bug Tracker, https://github.com/Truman-Xu/crimm/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Development Status :: 2 - Pre-Alpha
Requires-Python: >=3.8
Requires-Dist: numpy (>=1.21.2)
Requires-Dist: biopython (>=1.80)
Requires-Dist: ipywidgets (>=8)
Requires-Dist: nglview (>=3.1.2)
Requires-Dist: scipy (>=1.7.1)
Requires-Dist: requests (>=2.26.0)
Requires-Dist: propka (==3.5.0)
Requires-Dist: pandas
Requires-Dist: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2852 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
crimm/Fetchers.py sha256=1P0fWTKkJUib0wPNZtr1FKAJ948truj478GYdeW--Ek 11481
crimm/__init__.py sha256=M3Vubf8iVCOVyuUk0luiIyRUkpG0KxVTo7XTolElT0Y 311
crimm/Adaptors/OMMAdaptors.py sha256=9ZSHVHNKCb4WR-DHPXxtSO9l7RTeCTrZq5axojRNbu8 4311
crimm/Adaptors/PropKaAdaptors.py sha256=71zNxYc2keGi4NX-mEr0tBnvPOv4ouCM4k0pA_eK7y4 12012
crimm/Adaptors/RDKitConverter.py sha256=erQyZGqMZqAwgDWGmD5WLmDANS7cvSy_sR831eFqTxI 21632
crimm/Adaptors/__init__.py sha256=luk3mZYZJKMOjDQqQrBIuCLVW7I01RBR36nr9zDNxgM 45
crimm/Adaptors/charmm_struct_prep.py sha256=EsZmewOn9x_iPLmMCmq5Mu75Bl-RJP232CO4__nTfSw 9550
crimm/Adaptors/pyCHARMMAdaptors.py sha256=r6djXrzFEk-FuDjeDUSzQTeLkWFCp3uUIel-HRtk_bw 5083
crimm/Data/__init__.py sha256=5Czzk7NrIb6Pppa3tgrWd36D4bkNJbSW_q3zbUhZ2fk 39
crimm/Data/components_dict.py sha256=wp4WfB7IXXiWgSS_KnQ-ybO-4FUHK_lsQA9TPNHoqfc 1166
crimm/Data/connect_records.py sha256=PF1OwvlDwPWOvVydVCsTjneqL-5a5iBgrQRESp46l84 528
crimm/Data/constants.py sha256=5AjVTxJphY4SoP6t7pU8wttDlDQohHYL6fcxUtcLj-0 77
crimm/Data/element_dict.py sha256=LMkgeYJ2L4EFc4TdJ0KiE6MY5Rhtki1D3u9ESrzGYUg 13948
crimm/Data/propka.cfg sha256=LHOhaJgP4IXgQHojx4TTsRftfjzu9bDfotFOpZdYwuY 11837
crimm/Data/water_coords.npy sha256=CeQxpwjqJtfN-gq1xbainLaC_ymdOohBljSHa-M9geY 15680
crimm/Data/probes/__init__.py sha256=M6tXb0vrPrG8_ZX-tEOi4Zzc1X5hMGei_NX_O-GKDho 40
crimm/Data/probes/probes.py sha256=XiTQf1XrSBqXXN_BK3h8D80gWXepR6uJ0UZdYgHBHd8 37246
crimm/Data/toppar/carb.prm sha256=ms1fHYh6-vXizcDkIEQKuRLMK1hPeHEg1oRd0HfVjuY 159620
crimm/Data/toppar/carb.rtf sha256=YoTbNM4AOLZHmB1_rfrTU-wXFao8buBJDPP5TkjXXNk 292987
crimm/Data/toppar/cgenff.prm sha256=pki-xoRxKlb8ZCYqa-FGE5ieufKtqfYCIwNqm8b5hM0 926172
crimm/Data/toppar/cgenff.rtf sha256=k_bvuHgXA-eY0ZNnxpeyKONyxZinHgMgASvOvwSIHHs 2474554
crimm/Data/toppar/ethers.prm sha256=C-aGVkZdlJSAL3IlZCCxfayYYEi3OQhPxKVLdV9CcqA 18777
crimm/Data/toppar/ethers.rtf sha256=g8RbPh8wnAyxD8fQIUjs16ab9AJ2v9OD7nz4D4YNtlI 46438
crimm/Data/toppar/lipid.prm sha256=a1qz4tQzMDGI39jy-JoZIULnyqWql-ecqLoAhAdv8wI 28988
crimm/Data/toppar/lipid.rtf sha256=yhphrHw8n2ALKJnrV9y3AFEBPCE2Z8xiX1Zff6QmsjI 635614
crimm/Data/toppar/na.prm sha256=GtpXAVwRJSmqmF7mAWPxGpTpkaM0zJko4DDSI2iZ3wU 64738
crimm/Data/toppar/na.rtf sha256=OKsb2Sl51eyHTYRMkk5pLuqgBKAZRe8Gzfso7gYf94o 38311
crimm/Data/toppar/na_orig.rtf sha256=V_7UrMa8dV8vQisTajhfDBsbCplY556mxuOSuQIn7kk 38099
crimm/Data/toppar/prot.prm sha256=Q-qnRSj1VK9LovBGMBYQb7mSp7yao2AATffU2vLjwJo 180976
crimm/Data/toppar/prot.rtf sha256=1IBuRRHPK5xam1O1lSOrDwV8YzIZ7kSYRXvGGPosm3c 73058
crimm/Data/toppar/prot_orig.rtf sha256=Zxsju__Z-3Rv884rWVs9H7RFCSM5X0ftfi9l5siUMZk 73028
crimm/IO/CIFString.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
crimm/IO/CRDParser.py sha256=Hc5iyHC1Z7y8nftKNUZ0jm1oVSwNo9QtzLoXEYAx8fA 4953
crimm/IO/CRDWriter.py sha256=5JuuKgBd6v3OzviD6MHvcJuLQfpFTbP5TLW4SXwQKHg 1262
crimm/IO/MMCIF2Dict.py sha256=lBXYXQPSOZoRyPvz6kuXtb_X7XFi3MaKEs7OcAv-Nco 3042
crimm/IO/MMCIFParser.py sha256=PHn1I1aQdZGt0o9Cezj8DTMv3epd2-c_Z2hNxiSNZZo 19934
crimm/IO/PDBParser.py sha256=caqObpnQ1nnExnYKh2SyDdo4hh1hD8-PveR2_DIgQUo 5933
crimm/IO/PDBString.py sha256=C1UQKTjOQ9YqpT995lzMQnSg9c7l1a6pL8XmoqeBrYM 5771
crimm/IO/PRMParser.py sha256=aLS08qpBFQ66drcwbgnzq4HNR8YX3Vl1H0EyJ6tC9KI 7493
crimm/IO/RTFParser.py sha256=WJBNSXioAd8UeCg4e9iWZRl8n-FVSmGs9Guf1WdHyhE 11457
crimm/IO/StructureBuilder.py sha256=az3_8zLZPmm4xVLPpKXZBWV_hKm9mstWeAbYwzExNf4 13044
crimm/IO/__init__.py sha256=XwYC_afxUqy0BvvHmcjZTaHFS-6i4xh35GrhM6f4vIw 171
crimm/Modeller/CoordManipulator.py sha256=LE8Yw32d0sHKTXdfyHVzFpMeIl3I31qzkXckrvC8jqg 6856
crimm/Modeller/LoopBuilder.py sha256=ZRozHvmtSDlAPtyp6hgCoWs8ZwcfecjZpL5McR3oZb0 19557
crimm/Modeller/SeqChainGenerator.py sha256=ONkZg7B_Sr021cs0fDPrKJ8mTwiGoQF-9AotKI7fyJU 6648
crimm/Modeller/Solvator.py sha256=iKNUrbTnB3RZAmHSqjrWBo00kXKenmyYzVUVgypUjlk 10879
crimm/Modeller/TopoFixer.py sha256=pZRTefmM4IkqkxcMwyIQp8xfzg0_0BvQCVSKr9siWHE 17828
crimm/Modeller/TopoLoader.py sha256=xQsh9KDdd8D0t6S1g1tENZF5Igl7TtDdnXCIeVFOBiY 43591
crimm/Modeller/__init__.py sha256=RtQNbSH2JOJDpRI9RXFAnZdbb_umemvkeSnujdN_N-A 143
crimm/StructEntities/Atom.py sha256=suYh5M7NuRNHA-9YlpJXqGgxgrIkv8GmsUt2r7d15uU 4901
crimm/StructEntities/Chain.py sha256=rcqMAvCAo9AKjkRVwaDv3u9YzyE2Lycb6ukuHc30lWE 17024
crimm/StructEntities/Model.py sha256=djMadnQfJlwUvYrqySzDfswswAia5iZZkfF3nwdiH2U 5179
crimm/StructEntities/OrganizedModel.py sha256=SuGLQ-DprSBmG594ZTgkJv7nrJrHoczuQc1GcGbI8Xw 8580
crimm/StructEntities/Residue.py sha256=UbBn-_URzAkJUziILi_z8Jvv7LtcmEGh3rD-Mz0JJBg 4873
crimm/StructEntities/Structure.py sha256=cbVEEVO9XC2lyQeUWT1awIj671nKTxBSelklTe6np-8 2606
crimm/StructEntities/TopoDefinitions.py sha256=UpKZJsI2X2Oi7jALLPdMbKobXP18bOk2wfLPzdWRWJw 12788
crimm/StructEntities/TopoElements.py sha256=nx7r9x6hpYN3nNnIwjnkRL3KIk-b7AHSqhqOq1WnE6s 9351
crimm/StructEntities/Topology.py sha256=glPRTiUvAIgEvKTxxOQ32sptuRufc72bnldaU_BKNBw 691
crimm/StructEntities/__init__.py sha256=DLz6nR8DtWi8NcN80o81_UK-1BhwjtlsRRawLl9TDFU 494
crimm/Superimpose/ChainSuperimposer.py sha256=cP7ZDz5KzTPMaWdJ0wf_tk68-m9Kg-7iYDIdXJam_5k 9271
crimm/Superimpose/__init__.py sha256=EVr-1WXnwrcf5fG0n5cqWx-0Qbpehn4wgiP84srHw4w 65
crimm/Topology/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
crimm/Utils/StructureUtils.py sha256=YyDqwAv26PGlDvMjay1MKivEqKnIUoGFBuUW0dHYHlg 885
crimm/Utils/__init__.py sha256=Qug5QdSJS9VthssU1WgNSpmJ4Gkj6QFFKHy3O38KR5E 51
crimm/Utils/cuda_info.py sha256=YLN8iSAPiSYxqGeFidgGwmxJL2bzVWmUfgAJoW8QCMU 15481
crimm/Visualization/NGLVisualization.py sha256=pHV6lCqSbqGx8sX6YPYSPzif0tPIehFmSXcORrod1E8 9365
crimm/Visualization/__init__.py sha256=ZSs4-SVsG0URA3zkexnm2WL8xSB446Lg1SOo4rleCug 85
crimm-2024.7a2.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
crimm-2024.7a2.dist-info/METADATA sha256=Dy51K1LR3si9t3GCGdLcKPuf2iSFuC7f_0gPgaRdyxU 3693
crimm-2024.7a2.dist-info/WHEEL sha256=R0nc6qTxuoLk7ShA2_Y-UWkN8ZdfDBG2B6Eqpz2WXbs 91
crimm-2024.7a2.dist-info/top_level.txt sha256=ILqOjbvY8wu0ZdDaZxTx19ZTJS__dFPnmiFHN-3I1h4 6
crimm-2024.7a2.dist-info/RECORD

top_level.txt

crimm