Path |
Digest |
Size |
mdciao/__init__.py |
sha256=3c49oYMJSUsKgt6gXEBy3a6E1wLu5H_2euAF73dF2Fk
|
424 |
mdciao/dihedrals.py |
sha256=sC7LeMkoz-2DeAn1CStb50syPzivKwrfCmh8atagx7k
|
24450 |
mdciao/parsers.py |
sha256=6hC25cmHaj4NnskWmy7TnTV_JiO-ffatzlG3PM_4U8g
|
44280 |
mdciao/cli/__init__.py |
sha256=x1ilU-7TmOaVl1dLuntyfXuQFxIiJw66etAEUCqHH98
|
247 |
mdciao/cli/cli.py |
sha256=D3xGGSRAoUC56fAOpmeEz1ekXzcc0bwPd3gzn5OiMak
|
125731 |
mdciao/contacts/__init__.py |
sha256=Hpg_WzNZPgwYqNLGyW7IDpW9pLuekgoumquJurZfrWM
|
1171 |
mdciao/contacts/_md_compute_contacts.py |
sha256=ik6LkFMCzM29ck135BW2jTGvcfi97ixsVKEUphGrhQw
|
16019 |
mdciao/contacts/_progress.py |
sha256=gqoNtYA9cZs2zgGNF11Z9Gq3mbUcFkPOyeoZeKLUGYA
|
14256 |
mdciao/contacts/contacts.py |
sha256=BUOx4rzGZteuw4Jk0BDsf93Pu5n8P1oMgVR0PW2Mbzk
|
328042 |
mdciao/examples/01.Tutorial.ipynb |
sha256=B2IuUNjUnm7Ne8VM6Wz62B3DJuoPUUYsUvygadonOcQ
|
31644 |
mdciao/examples/02.Missing_Contacts.ipynb |
sha256=zCoH7rs2XD3G1pFkTvmqY-7jnrh4t5psNgJMSugg0zE
|
28582 |
mdciao/examples/03.Comparing_CGs_Bars.ipynb |
sha256=QnYt8LFZvCatPwzdxNlZ8zGfabMbJp7tAqN6iYPlhtE
|
36243 |
mdciao/examples/04.Comparing_CGs_Flares.ipynb |
sha256=GEAzGeccymrtMO8SIMIJG-9dx8PR6cruEumzIEbQ630
|
42818 |
mdciao/examples/05.Flareplot_Schemes.ipynb |
sha256=gbXOWyXljGMpstvxqvwzKR1KdwdMKoF-Jm9xxofXpZw
|
26494 |
mdciao/examples/06.MSA_via_Consensus_Labels.ipynb |
sha256=mC_KrRvRRji7xnHjWaF-zmAWI32SNMQdXT-4sHJMhQU
|
7705 |
mdciao/examples/07.EGFR_Kinase_Inhibitors.ipynb |
sha256=CQKuBOw-vVX6NCFiJSRhLJ7wuZ6nAtfEXIMuE1DLgK0
|
13825 |
mdciao/examples/08.Manuscript.ipynb |
sha256=WGJ-2IY67eG6IE26rqhNZH-G5iRK4Gqfu0d1-UtwQN8
|
7370 |
mdciao/examples/09.Consensus_Labels.ipynb |
sha256=iNjUrTI5m2wMbWPwwg6lxn6OsH-WzumRwEgoAYgq2gw
|
35154 |
mdciao/examples/__init__.py |
sha256=ntCkrIiPHoO8XlafbjtI_3fkselPYUiQyB5AYUPJJGI
|
532 |
mdciao/examples/examples.py |
sha256=t4JIsWDPxaIZEbpp4In4q2UmaAuGWoakvIp6kaor_Jg
|
27942 |
mdciao/filenames/__init__.py |
sha256=iaddFT0CQay92kPO4gaQAU1Utl7DLyeHvZnZ5jZ8m2Q
|
120 |
mdciao/filenames/filenames.py |
sha256=0A1mcxNL0fNGkskY9UM9fLuo_2qqlr4KwCspyqNvt70
|
5398 |
mdciao/flare/__init__.py |
sha256=dREKDU9ROyhfQqLQyIus13106IdV48-9yLJXEr16ICw
|
1520 |
mdciao/flare/_textutils.py |
sha256=xe-8wxx_WN_xGU25R4FoL-xGvW6YjzIlm4VZYrFLMNY
|
8992 |
mdciao/flare/_utils.py |
sha256=GgCKEL-8IZAKKenm7yOzJPytsTb-lyrr0upWzTl_sow
|
47311 |
mdciao/flare/flare.py |
sha256=u7-n0oISCmI0O9uRK05n_-zbRICUb_sJ7Yln32zgmh4
|
49749 |
mdciao/fragments/__init__.py |
sha256=9qvVMHo3zsPzh2nA_YDxOyfhaJJNtOqmShzCWwMEbHs
|
486 |
mdciao/fragments/fragments.py |
sha256=VaPQX93EWyfxyj7ZSRngVEK7ei5BJ_cGcCXCrlPztLo
|
55997 |
mdciao/nomenclature/__init__.py |
sha256=2T60BsskKvtTIpV214a_tli_wCuO_RmEHGIAExSWlRA
|
5870 |
mdciao/nomenclature/_md_from_dataframe.py |
sha256=A5rt74pXkXfyxcbpInXd7WPIM1TS7GEm7kCK2d_wKDQ
|
8808 |
mdciao/nomenclature/nomenclature.py |
sha256=o3m3yjzhfgKcdSfTC8tjXXRlUlFTD4__wjvBO5mIyZg
|
160163 |
mdciao/nomenclature/nomenclature_backup_aGPCR.py |
sha256=PJapG0n_B0pXsKRvxIiN0ZfZtO8LYaRX9vM9ac2app4
|
158176 |
mdciao/pdb/__init__.py |
sha256=30Epv1rbegcJvwfXzJqbWbqBHj1rPvH4MtUnCEg1lCI
|
258 |
mdciao/pdb/pdb.py |
sha256=nLdTGeN3sRfOUIdlVmdTqdyixUhfjLHrb3hnsax3Gno
|
5719 |
mdciao/plots/__init__.py |
sha256=mxTZy1ii8R8C-eNPI9XNGPdBhvGqTx7cmq-yOewngAg
|
235 |
mdciao/plots/plots.py |
sha256=CD823TSk93yUOCnmaLidPJaEtCz-toRIqv0d9HIdIT0
|
99309 |
mdciao/sites/__init__.py |
sha256=xK-oLD2is62J3kQG8F9cfBFg7PzZYVR4DC8e4VoOkQc
|
4922 |
mdciao/sites/siteIO.py |
sha256=CXSgi0GkmWMfuJEa2poD0wdqlsfcU6pDAJWzXon5LAU
|
14243 |
mdciao/utils/COM.py |
sha256=kSpS_6HZxfC-8yyc-ra9TEX_JQmcHW3dFQ4cs3w4p0Q
|
21298 |
mdciao/utils/__init__.py |
sha256=II4J0KkemAM1Q_Yrh4qKElH532kgNLyKXSSSJRgA-rg
|
519 |
mdciao/utils/bonds.py |
sha256=jmjUBVJNfrYpnbgeXrbZeZlM9WS6DV5cntjL7BzHqMY
|
9225 |
mdciao/utils/contact_matrix.py |
sha256=nnNA1zMimYo3V3mv-SjWJjteaXI8OWLRQAHFXS7P-WQ
|
10395 |
mdciao/utils/lists.py |
sha256=MBIvHuLws9FwZKuGkPp-hwGtT8xh4FSlaPJrqZbeip0
|
22293 |
mdciao/utils/residue_and_atom.py |
sha256=hVIANv0Id-8kda0HKfbXHrRl92eWInbXnAEaVc9P3Zw
|
31367 |
mdciao/utils/sequence.py |
sha256=YIKJItTyhHE1zZZWD2aQ5cnfgOF7vFrrtd4_8gulhP8
|
20719 |
mdciao/utils/str_and_dict.py |
sha256=8TgNoJP7rFQxZQNLzGFHu332mpfjIZrhrx7XF8V7DE0
|
48490 |
mdciao-0.0.9.data/data/data_for_mdciao/RCSB_pdb/3E8D.pdb.gz |
sha256=AxR8LnK-a-n7hYGfUNrcPxd7PtJnXgb6DD_m2uvBwi4
|
117368 |
mdciao-0.0.9.data/data/data_for_mdciao/RCSB_pdb/3SN6.pdb.gz |
sha256=l2ZpZB2bfQlsfGeXBjxiqDRTPloo3mH9YyCnhlf19KI
|
459941 |
mdciao-0.0.9.data/data/data_for_mdciao/examples/gs-b2ar.noH.pdb |
sha256=58Ygnr7Z6a7FNNKSRaV-ICGMumRNJd8qwpjletCnyZI
|
662530 |
mdciao-0.0.9.data/data/data_for_mdciao/examples/gs-b2ar.noH.stride.5.xtc |
sha256=CFyJBbkln5g6De7Th3RPylO49NWbmVTzpasIS-1b_zY
|
1807612 |
mdciao-0.0.9.data/data/data_for_mdciao/json/tip.json |
sha256=acvDYZfISLcZnLgVQdsAclob1QuQLqKwy3A2YZlD_wQ
|
221 |
mdciao-0.0.9.data/data/data_for_mdciao/nomenclature/KLIFS_P31751.xlsx |
sha256=YSnaPXlL4uqrYg-p03XxtQXgjZFJbTThTCrZjvDszEs
|
232803 |
mdciao-0.0.9.data/data/data_for_mdciao/nomenclature/adrb2_human.xlsx |
sha256=vMW4kvi98fGBh-xZQ_93epISLhTvhFK6ve2piYg5JPQ
|
31299 |
mdciao-0.0.9.data/data/data_for_mdciao/nomenclature/gnas2_human.xlsx |
sha256=vC00rRA9yNbG1fbK1K3Gmg9IX8L9F2D-7_BBFstZZ3s
|
16366 |
mdciao-0.0.9.data/data/data_for_mdciao/nomenclature/nomenclature.bib |
sha256=HxGXkG3XI0FMOtButjSD8GkghHAP3JKTskVkrUqNRqE
|
30491 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/01.Tutorial.ipynb |
sha256=B2IuUNjUnm7Ne8VM6Wz62B3DJuoPUUYsUvygadonOcQ
|
31644 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/02.Missing_Contacts.ipynb |
sha256=zCoH7rs2XD3G1pFkTvmqY-7jnrh4t5psNgJMSugg0zE
|
28582 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/03.Comparing_CGs_Bars.ipynb |
sha256=QnYt8LFZvCatPwzdxNlZ8zGfabMbJp7tAqN6iYPlhtE
|
36243 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/04.Comparing_CGs_Flares.ipynb |
sha256=GEAzGeccymrtMO8SIMIJG-9dx8PR6cruEumzIEbQ630
|
42818 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/05.Flareplot_Schemes.ipynb |
sha256=gbXOWyXljGMpstvxqvwzKR1KdwdMKoF-Jm9xxofXpZw
|
26494 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/06.MSA_via_Consensus_Labels.ipynb |
sha256=mC_KrRvRRji7xnHjWaF-zmAWI32SNMQdXT-4sHJMhQU
|
7705 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/07.EGFR_Kinase_Inhibitors.ipynb |
sha256=CQKuBOw-vVX6NCFiJSRhLJ7wuZ6nAtfEXIMuE1DLgK0
|
13825 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/08.Manuscript.ipynb |
sha256=WGJ-2IY67eG6IE26rqhNZH-G5iRK4Gqfu0d1-UtwQN8
|
7370 |
mdciao-0.0.9.data/data/data_for_mdciao/notebooks/09.Consensus_Labels.ipynb |
sha256=iNjUrTI5m2wMbWPwwg6lxn6OsH-WzumRwEgoAYgq2gw
|
35154 |
mdciao-0.0.9.data/scripts/mdc_CGN_overview.py |
sha256=8Tn_1dVkiA1iZYu8csT2PmOxrt10fGU3X1XlQuVxbic
|
1197 |
mdciao-0.0.9.data/scripts/mdc_GPCR_overview.py |
sha256=RGoK8Tlc-lx4E37MxzhdLflqZ9hrlfZGLUq1_Bm3kWA
|
1202 |
mdciao-0.0.9.data/scripts/mdc_KLIFS_overview.py |
sha256=U6RmOHpNL9_uPf_DHTs3hWa1tBCk5PbWPW8loMPfkqg
|
1234 |
mdciao-0.0.9.data/scripts/mdc_compare.py |
sha256=9DoDiD-bNjQBOOFUVBJDG_uTXneyS9JT771UixvjCTs
|
2613 |
mdciao-0.0.9.data/scripts/mdc_examples.py |
sha256=d_U_yOaP_32-TZf0qtVnuz9P1LgSK86PrGZXr336h5A
|
1781 |
mdciao-0.0.9.data/scripts/mdc_fragments.py |
sha256=eAfgQRKxRE5gGo5bYKIlfDRgK3HXJT3DK370869Dhp0
|
1251 |
mdciao-0.0.9.data/scripts/mdc_interface.py |
sha256=KlTmIrvFQtDhc4vJcjCnoOAotn5pRahKtznVf1_H0zI
|
1527 |
mdciao-0.0.9.data/scripts/mdc_neighborhoods.py |
sha256=djmBur3nojxIuO5VWRpbbXVIrUdeoxOJRRZ93XfYsuw
|
1567 |
mdciao-0.0.9.data/scripts/mdc_notebooks.py |
sha256=OLP8QkvFVHgXJ7nWPQi2RQ7hgLUf9xCzizf4SFeII80
|
1305 |
mdciao-0.0.9.data/scripts/mdc_pdb.py |
sha256=hDCi6-eDYcP4XiyriMfiXZh11w797K0BFAg-9SncyaE
|
1237 |
mdciao-0.0.9.data/scripts/mdc_residues.py |
sha256=LX6R5EUhQj7lqfW5L_Wq4cDYDcD3z2wLIRwjzG7T_Zg
|
1434 |
mdciao-0.0.9.data/scripts/mdc_sites.py |
sha256=yxAhC17_CG3N7bUhH4MCO0VaDCQeCyUuFWRDHjMadkM
|
1496 |
mdciao-0.0.9.dist-info/LICENSE.txt |
sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg
|
7652 |
mdciao-0.0.9.dist-info/METADATA |
sha256=fgPtNW4UpAiSPdZ8HMZAsUbfouKSp9rMscnW1c6rEaI
|
12955 |
mdciao-0.0.9.dist-info/WHEEL |
sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY
|
91 |
mdciao-0.0.9.dist-info/top_level.txt |
sha256=TDgPIkFSvrSNKqcQii9D8VXjIWSMBy5T4gb8hii2n_o
|
7 |
mdciao-0.0.9.dist-info/RECORD |
— |
— |