Path |
Digest |
Size |
crimm/Fetchers.py |
sha256=dF1NXi9A1mJedp9-YKZCxpOtgadwnj3LbeacpDxeByg
|
8971 |
crimm/__init__.py |
sha256=nfXLP4cgITEYGiYmEIRbUQKIJp2ENsaG9f9VficgZ-k
|
345 |
crimm/Adaptors/OMMAdaptors.py |
sha256=9ZSHVHNKCb4WR-DHPXxtSO9l7RTeCTrZq5axojRNbu8
|
4311 |
crimm/Adaptors/PropKaAdaptors.py |
sha256=HE1HvvmKKUfzN4m6J6UjDTSdjH8AyM1Rq8GwcdltgSQ
|
12043 |
crimm/Adaptors/RDKitConverter.py |
sha256=mV3KqmbPi5ACp7DRcrtXJ1jE2QfO5nkD1SG38keQUPA
|
17827 |
crimm/Adaptors/__init__.py |
sha256=luk3mZYZJKMOjDQqQrBIuCLVW7I01RBR36nr9zDNxgM
|
45 |
crimm/Adaptors/charmm_struct_prep.py |
sha256=EsZmewOn9x_iPLmMCmq5Mu75Bl-RJP232CO4__nTfSw
|
9550 |
crimm/Adaptors/pyCHARMMAdaptors.py |
sha256=HU3yIEBxY_d73mdWFDH5kvd61L6TRV6S7Zg_GRBZM1M
|
4641 |
crimm/Data/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
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/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=AFxIsdtHtsd9Wr6MlsdqxsFwC8oX1wcrQ54BfSznPRY
|
73234 |
crimm/Data/toppar/prot_orig.rtf |
sha256=Zxsju__Z-3Rv884rWVs9H7RFCSM5X0ftfi9l5siUMZk
|
73028 |
crimm/GridGen/GridGenerator.py |
sha256=Zx3egTtB9wj6vrD6R11ipqrcqXJq6WbouFGsT3vMYxk
|
22367 |
crimm/GridGen/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
crimm/GridGen/_grid_gen_wrappers.py |
sha256=Wo9iOwu07B30PCaA5QmNP6p3KttwOjUgHqGBQ4_KaY0
|
6677 |
crimm/IO/CRDParser.py |
sha256=Hc5iyHC1Z7y8nftKNUZ0jm1oVSwNo9QtzLoXEYAx8fA
|
4953 |
crimm/IO/MMCIF2Dict.py |
sha256=lBXYXQPSOZoRyPvz6kuXtb_X7XFi3MaKEs7OcAv-Nco
|
3042 |
crimm/IO/MMCIFParser.py |
sha256=2R4lKTix0WRcDUOqZPESzCcmgtLqLszQb6IblihaoAc
|
17682 |
crimm/IO/PDBParser.py |
sha256=aNu2t1XF_rHG-FB37BGG4oobDyVLslpDzKzKqueeB-Y
|
5198 |
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=by-qfWzZb8hz5bx29Q6laHp70J9yybGajn_DS3V9piY
|
19502 |
crimm/Modeller/ParamLoader.py |
sha256=RzBJbk4D1KnurNa0vQVg7IHO3qTOFylXwfEMjVDsFIM
|
9554 |
crimm/Modeller/SeqChainGenerator.py |
sha256=rhqYGbCJIaj3TTs9rIzO10ZIsLmhtJQRdhEe1GOgDZs
|
6606 |
crimm/Modeller/Solvator.py |
sha256=iKNUrbTnB3RZAmHSqjrWBo00kXKenmyYzVUVgypUjlk
|
10879 |
crimm/Modeller/TopoFixer.py |
sha256=G8PrWhlhZoNOObLy0fT894lSdHFbw7flHhxltq8p89o
|
17831 |
crimm/Modeller/TopoLoader.py |
sha256=Zr9EApiM-PuoeR8Qb2JyiBh-ErrW1KVfFMSn1gdSRDg
|
32393 |
crimm/Modeller/__init__.py |
sha256=pfXqIEmS7NbkgujHZnLBILB6f0QMsj3zEqDM0nosaX4
|
220 |
crimm/StructEntities/Atom.py |
sha256=suYh5M7NuRNHA-9YlpJXqGgxgrIkv8GmsUt2r7d15uU
|
4901 |
crimm/StructEntities/Chain.py |
sha256=QU9kEkBsXU627ff2f-1cdCaNtt6Lcy1SAhp2Yt6IF4o
|
15317 |
crimm/StructEntities/Model.py |
sha256=CMrHWgkmy4lWCVreyfSYvesLZNkAhjERZ_sbuZVLsc4
|
4869 |
crimm/StructEntities/Residue.py |
sha256=IP1xtHYQZDjyOv-oaQZehXK1FwxyNQkrY-UuiqZNZYs
|
4820 |
crimm/StructEntities/Structure.py |
sha256=5NIb-nFgyOuYsDQ0ebDHk9zNnMGNPrrca60DKDAuTA4
|
2110 |
crimm/StructEntities/TopoDefinitions.py |
sha256=gOZHoPbSB13HFZm2I6jzIQhxOryqfgxsCXIAxkPsWqg
|
12795 |
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=u_GUprrMcIxgX0ZiIdWcVh5Mtg2s4VQJe770Gnet0-8
|
9264 |
crimm/Superimpose/__init__.py |
sha256=EVr-1WXnwrcf5fG0n5cqWx-0Qbpehn4wgiP84srHw4w
|
65 |
crimm/Topology/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
crimm/Utils/__init__.py |
sha256=Qug5QdSJS9VthssU1WgNSpmJ4Gkj6QFFKHy3O38KR5E
|
51 |
crimm/Utils/cuda_info.py |
sha256=YLN8iSAPiSYxqGeFidgGwmxJL2bzVWmUfgAJoW8QCMU
|
15481 |
crimm/Visualization/NGLVisualization.py |
sha256=-cvEnKU3W7Xhf226PRiR-oGj6bzYwrKaKSDh2yzZYoE
|
8311 |
crimm/Visualization/__init__.py |
sha256=ZSs4-SVsG0URA3zkexnm2WL8xSB446Lg1SOo4rleCug
|
85 |
crimm-2023.10a1.dist-info/LICENSE |
sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY
|
35149 |
crimm-2023.10a1.dist-info/METADATA |
sha256=LwR8ZInSiArdqgZOz3iSnRWy6TBiNBps0Pn975L2CIA
|
3591 |
crimm-2023.10a1.dist-info/WHEEL |
sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A
|
92 |
crimm-2023.10a1.dist-info/top_level.txt |
sha256=ILqOjbvY8wu0ZdDaZxTx19ZTJS__dFPnmiFHN-3I1h4
|
6 |
crimm-2023.10a1.dist-info/RECORD |
— |
— |