Path |
Digest |
Size |
openabc/__init__.py |
sha256=_80K5hnPhhCm5wMQLuLDE2SYoV-9gwgIGodki9XIJu4
|
23 |
openabc/forcefields/__init__.py |
sha256=dYXGhVDe7-YUnfYssaa4-B3KPNCdzcJJh3uOuQldQgY
|
154 |
openabc/forcefields/cg_model.py |
sha256=iDnD2_LeVY2XEd3g59tb3P6gjkdgdEbL_FzwgtbCrMo
|
12393 |
openabc/forcefields/hps_model.py |
sha256=6N5WvU8eoufaNSyeCkjEOEgMwK_gpP_LkwWNyf63j_U
|
4566 |
openabc/forcefields/hps_zero_offset_model.py |
sha256=dHOlfFHEKj_K4QZwmrWjx3nZeOeUKfV7xYp7u0AiW_w
|
2909 |
openabc/forcefields/moff_mrg_model.py |
sha256=CQVIZrbBNLDfi0us_He2r-j0lilH5iECsHTDURvmYYA
|
11147 |
openabc/forcefields/mpipi_model.py |
sha256=-EbGHRDe9JGs3ZHd_DrbtPWW37vK3lQNeo1RqYAcU-k
|
4771 |
openabc/forcefields/mpipi_zero_offset_model.py |
sha256=Fl5OQb2eLUDkHOXy4AETX3sswcOjN-cnjh5glOMspZM
|
1638 |
openabc/forcefields/rigid.py |
sha256=ak8zQxor71irf7ibwLV3Ng3ZB8raC9chX1pnZV8ug28
|
7435 |
openabc/forcefields/smog_3spn2_model.py |
sha256=qT4WdewH2e13cGfx9EGEwrrlFYaQsliIEXEUE4jHhsA
|
24390 |
openabc/forcefields/__pycache__/__init__.cpython-39.pyc |
sha256=43TR7AiZr0PqSmeUloNrHJtuLDLmEK1UTdvyNVHM4FM
|
374 |
openabc/forcefields/__pycache__/cg_model.cpython-39.pyc |
sha256=Wk3nfcgPtfkzT-Mxai8Lqk11Kgyr9q3FM46RekBxKto
|
10621 |
openabc/forcefields/__pycache__/hps_model.cpython-39.pyc |
sha256=ckXc42qBgYeB8h0PX6eFQ2kV-49osmftytR47GH460U
|
4700 |
openabc/forcefields/__pycache__/hps_zero_offset_model.cpython-39.pyc |
sha256=UYMryTvVzNbkTerINs9Yq8_FyG3YmDMicdO3ZSorJ1g
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2964 |
openabc/forcefields/__pycache__/moff_mrg_model.cpython-39.pyc |
sha256=DcMxBzDlqOXtPFksm2P88XlpcT8ZAL2oLA7_7zCgeZ0
|
10132 |
openabc/forcefields/__pycache__/mpipi_model.cpython-39.pyc |
sha256=7nihym8zrgCDlC3Y0IJ_0NHwB-wAzuqrD0TcHEXQGTA
|
4437 |
openabc/forcefields/__pycache__/mpipi_zero_offset_model.cpython-39.pyc |
sha256=Jl244vd5Dwr_ocXsjz7ViI01GDF111W1Zigo6JWVCdc
|
2000 |
openabc/forcefields/__pycache__/rigid.cpython-39.pyc |
sha256=jTJ4a-R__B0ejoPn1Le7bJDEqiXMnKLJ6Wa5ASEGv2A
|
6863 |
openabc/forcefields/__pycache__/smog_3spn2_model.cpython-39.pyc |
sha256=V0SRcDaxZu-UrctO2-INLWVUtQYgjAQEDMmTIzP9Iuc
|
18275 |
openabc/forcefields/functional_terms/__init__.py |
sha256=h2TSlzeySRjKz-bPI2DKhV1WtNGr53-2TwxYku9Pyqw
|
178 |
openabc/forcefields/functional_terms/angle_terms.py |
sha256=0atqpepyNjlZ7-vjwMn5aJTMgqkVcFVolNyQ_MRjLYo
|
1971 |
openabc/forcefields/functional_terms/bond_terms.py |
sha256=YAGrCqsB2MZyPvD-hdQgdd3o-DjyWZeR7nR2RhhqO_c
|
6606 |
openabc/forcefields/functional_terms/compound_bond_terms.py |
sha256=omYdZoYMquJjCoUw4xTzH17GFLUTed7JTEjZZFVH5W8
|
1380 |
openabc/forcefields/functional_terms/dihedral_terms.py |
sha256=7WwY-aLk3kwuhY52hAthonOdEZMnv89cEMDFwzPlXS0
|
1706 |
openabc/forcefields/functional_terms/hbond_terms.py |
sha256=95ccmzThVg5OlCDCrZ5hg_TzXIHwRHXldf1PxNRdldk
|
6756 |
openabc/forcefields/functional_terms/nonbonded_terms.py |
sha256=W9lb2q6j2vT3deOn0fixq9mVIZCgWYaGz411H0KWyMs
|
22531 |
openabc/forcefields/functional_terms/zero_offset_nonbonded_terms.py |
sha256=T50vXlYbXzfLdD2wSlsbQEIGOKme7R64uopl8jNlNJU
|
3135 |
openabc/forcefields/functional_terms/__pycache__/__init__.cpython-39.pyc |
sha256=rPJ36OXiSEgq1_Ugc7k1xCZpBDR-OVZIewnxR4SlSi0
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354 |
openabc/forcefields/functional_terms/__pycache__/angle_terms.cpython-39.pyc |
sha256=oVaUVweAnV_8Ph5JlqrkGoPBQ-reUCN4-CGzkkOCYqM
|
2095 |
openabc/forcefields/functional_terms/__pycache__/bond_terms.cpython-39.pyc |
sha256=xZD4qG_HH4s0gE_DUHkkTaxaRi4nj5fHMhoPiKd6Ek4
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6158 |
openabc/forcefields/functional_terms/__pycache__/compound_bond_terms.cpython-39.pyc |
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1549 |
openabc/forcefields/functional_terms/__pycache__/dihedral_terms.cpython-39.pyc |
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1773 |
openabc/forcefields/functional_terms/__pycache__/hbond_terms.cpython-39.pyc |
sha256=iW3A-y5rzls_3M70sRlOcYq1N2XwpsO2590myfqkL70
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6706 |
openabc/forcefields/functional_terms/__pycache__/nonbonded_terms.cpython-39.pyc |
sha256=gf_O8L0ajRswGzcpkqSAldgTGa8dT6hgs-fnPqFjoyY
|
15837 |
openabc/forcefields/functional_terms/__pycache__/zero_offset_nonbonded_terms.cpython-39.pyc |
sha256=M5JZUZ5_RA6s73n5VxChOZfVfJ0jA4u5QZXBQLJEQ0c
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2831 |
openabc/forcefields/parameters/3SPN2.conf |
sha256=O7omzqT_4CAkiD1yUaQIe4RVL6pFNyUh3y-9eMgKKwg
|
16113 |
openabc/forcefields/parameters/3SPN2.xml |
sha256=mBRm81pUE2sfQZ0iEWHzyeFc8_aqcfqWyhygdRcb3rw
|
1546 |
openabc/forcefields/parameters/HPS_KR_parameters.csv |
sha256=-vSBD1tetRL8Vh_sN_jYi5Dh3c3OqazZ8HIYiZ90XCc
|
4287 |
openabc/forcefields/parameters/HPS_Urry_parameters.csv |
sha256=q0RlhwVauNixZLhJnL5pcbIy_ubkkIx2xHjPErBAKAU
|
4904 |
openabc/forcefields/parameters/MOFF_contact_parameters.csv |
sha256=4dgDAaDHEEtyQU_XBmlfMZZWyl57gqjbTUMRMFXSZEk
|
11557 |
openabc/forcefields/parameters/Mpipi_parameters.csv |
sha256=Xsf-yRXLr9tka9FVFySoHDIaFnijGkq0b5pdgOx66fQ
|
9161 |
openabc/forcefields/parameters/__init__.py |
sha256=PT4wIej9pmzARUjm9d331cCviIX_hV-XYM6X7AeBTBE
|
63 |
openabc/forcefields/parameters/build_openmm_MJ_config.py |
sha256=L7PkeSVXe63TaY3PdhNntUq0VjrTJlX88NDUaO1Cetg
|
2386 |
openabc/forcefields/parameters/lammps_Mpipi_RNA.in |
sha256=8nefVjadeFmc0xNvrcYY_sAyu80TYfgyG7ExGoI9xZU
|
74920 |
openabc/forcefields/parameters/mixin_3spn2_config_parser.py |
sha256=bryVVDM-6JM7JUZ-ZzNmr2NO6cA6BrbYzd5A7kkt1JA
|
5732 |
openabc/forcefields/parameters/parse_hps_parameters.py |
sha256=-09QilqU0SzZVujoWwa5lHgwIRcE_h5licb4n0oqU0U
|
3364 |
openabc/forcefields/parameters/parse_moff_parameters.py |
sha256=kzO3diBaSBApkqeNi-e_cgu-hrq1G76bTESEXIK9hLA
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1217 |
openabc/forcefields/parameters/parse_mpipi_parameters.py |
sha256=0qp7Pmj5NeAPSKG4cUhsSrz9ss6XCEFIupHXUZYOqOE
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2133 |
openabc/forcefields/parameters/pp_MJ.csv |
sha256=fxfF4-82IrXCkn-2OZg5IwVdcdAYwA7-TXPpRYGc2Dc
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5913 |
openabc/forcefields/parameters/pp_pairCoeff.in |
sha256=aRXdzBHIAZ5PvNG-ZTllcdhFTj40woUABYxF6uCTnU0
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22470 |
openabc/forcefields/parameters/proteinDna_pairCoeff.in |
sha256=D7UNHDaSPp7zeh6lfhNo1xD7NRmypk-zwgsKazZKmh4
|
59152 |
openabc/forcefields/parameters/template_MOFF.top |
sha256=rPP0bl8p6-mGR-IWQ7mCEFyrJNR8PyJAGFbB9NVwQA0
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12545 |
openabc/forcefields/parameters/__pycache__/__init__.cpython-39.pyc |
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openabc/forcefields/parameters/__pycache__/mixin_3spn2_config_parser.cpython-39.pyc |
sha256=LdmcvW56o4LvDpuJGCOcfBpFm4ksp9LUxZc_vGqgqW8
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3779 |
openabc/forcefields/parsers/__init__.py |
sha256=3Y9iqX5vc2aUgfWJ-Dnh7N321qmvsA6yhnwZ1QpcBEw
|
253 |
openabc/forcefields/parsers/dna_3spn2_parser.py |
sha256=dqs3mojlrwQD5sGnSJAIm1g7aMp-RArTxTeRaDK970I
|
27472 |
openabc/forcefields/parsers/hps_parser.py |
sha256=I8pDGldBfjAD5BgZ6WbLvha3TNhtnYYQJsXSK3rIFBU
|
3888 |
openabc/forcefields/parsers/moff_parser.py |
sha256=IcK_rxbl2mHtdo69uUCXRHVeeZCYiGuGTjTaPqDAlnE
|
10441 |
openabc/forcefields/parsers/mpipi_parsers.py |
sha256=kdm-3WpbpLH_9nYOj2GqbWDs4JYZgeJoubk-V2ids98
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7201 |
openabc/forcefields/parsers/mrg_parser.py |
sha256=WQBqAFdWF4Z8ZWPZSElX-aCeB9-4xVhJ70vsaF-EImo
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7516 |
openabc/forcefields/parsers/smog_parser.py |
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9470 |
openabc/forcefields/parsers/__pycache__/__init__.cpython-39.pyc |
sha256=uIIZlk0906N-yo_gvi5ZrH6UZ_1D4_N_rGpL3ir-fL0
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533 |
openabc/forcefields/parsers/__pycache__/dna_3spn2_parser.cpython-39.pyc |
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16961 |
openabc/forcefields/parsers/__pycache__/hps_parser.cpython-39.pyc |
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3607 |
openabc/forcefields/parsers/__pycache__/moff_parser.cpython-39.pyc |
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openabc/forcefields/parsers/__pycache__/mpipi_parsers.cpython-39.pyc |
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openabc/forcefields/parsers/__pycache__/mrg_parser.cpython-39.pyc |
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openabc/forcefields/parsers/__pycache__/smog_parser.cpython-39.pyc |
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openabc/lib/__init__.py |
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openabc/lib/dna_lib.py |
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openabc/lib/physical_constants.py |
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openabc/lib/protein_lib.py |
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openabc/lib/rna_lib.py |
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openabc/lib/unit_conversion.py |
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openabc/lib/__pycache__/__init__.cpython-39.pyc |
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openabc/utils/CA2AA.py |
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openabc/utils/__init__.py |
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openabc/utils/chromatin_helper_functions.py |
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— |
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