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 |
— |
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