Path |
Digest |
Size |
hotspots/__init__.py |
sha256=PImGAObW93vtYUzJOxNTTrrcYCoLs7t88DMAfqzLjDA
|
301 |
hotspots/atomic_hotspot_calculation.py |
sha256=oPCgw5ACaVWWxjQcfQ_7lxTBJeyRqb6JbDT3klBLxao
|
20594 |
hotspots/calculation.py |
sha256=w7kHBWsepWd089s542_iq4TT5guFUEu-W2BWp7t23Ho
|
46213 |
hotspots/data.py |
sha256=kAauIDezTuoT4ONWsSdW6YSxwYmlvClrzSwtlweG6lk
|
4763 |
hotspots/excluded_het_id.txt |
sha256=ALo2Mud37yZxf8Ww-wgDLe09KyH-jHVH-R73Ila2N1Q
|
1132 |
hotspots/grid_extension.py |
sha256=lVX3ykPD8FQCUvIruzgQKQ5-ouQfL9Aqh3ZTv809gvY
|
38138 |
hotspots/hs_docking.py |
sha256=7cdbJALuAeNfLY9A7K-xCT2A6Snj3z5NcrW3gHawQpE
|
9508 |
hotspots/hs_io.py |
sha256=nY3Un5C0cPV7WcanyR36ROFeh07peiHJCxX_5IJ98yA
|
15824 |
hotspots/hs_pharmacophore.py |
sha256=ZpR2neuxoA9-cPQIyENwSaHVpGH63a9N6X0VtnDDqiA
|
55011 |
hotspots/hs_utilities.py |
sha256=uiSSsjLaYv3Qka73oG63zHx0m4hgodnxvLtByet4zoA
|
12419 |
hotspots/pdb_python_api.py |
sha256=5wd07I74vJ4C6BkbXpurWD5j7igDbBhPigjqBKX0-6I
|
13780 |
hotspots/protoss.py |
sha256=3jnQfZeeh0Ti0OaES-B0f6Gf2DsFrG0E1xTtOxS2gDI
|
4017 |
hotspots/result.py |
sha256=w28LmWm0pFaAHDff25Qdt5Zyc3IvX9kkVVWMwcxeGTU
|
38054 |
hotspots/siena.py |
sha256=lc047tda9z37Osl95IKjDkGlw_H2JcJ3hQnjhvNKdso
|
11719 |
hotspots/template_strings.py |
sha256=15m-yv7ltRfskYJH2vVuyiD9u4lUZGez0C77NY7VE1I
|
40729 |
hotspots/probes/rotate-acceptor_3_3d.mol2 |
sha256=_d_rZRAPZ5zs1mweuM6SxeH0w4XAgJIoHLhD82qocoQ
|
1064 |
hotspots/probes/rotate-acceptor_3_flat.mol2 |
sha256=wp7zwU8zY3NMDkDCLguyyhSy88YbbOr6vMlHeF4Besk
|
899 |
hotspots/probes/rotate-acceptor_4_3d.mol2 |
sha256=GlxULy8cdLJX0T8PceOyYhpfZaiMTHh9E1fgYAsdKEA
|
1444 |
hotspots/probes/rotate-acceptor_4_flat.mol2 |
sha256=SP1gXMyIRjynYVCqJ7jDdwUMq_2gVONX1fhj9v7vqrw
|
1184 |
hotspots/probes/rotate-acceptor_5_3d.mol2 |
sha256=fvaNNg3pdk-zGVf2jd4Hci3y8QfaJVxiOosFIk0JP98
|
1304 |
hotspots/probes/rotate-acceptor_5_flat.mol2 |
sha256=FS7DBWIZ1OY7QYXctuwTSbhLi0Ul2suIK0X-a7fCFxI
|
1089 |
hotspots/probes/rotate-acceptor_6_3d.mol2 |
sha256=bP3zaUHHQfeyo6MmGnvk4FSYb1Psumq1cPcowAuSoas
|
1589 |
hotspots/probes/rotate-acceptor_6_flat.mol2 |
sha256=J1X_ZD4ZAc0SvQMC-6MEYKMW5ASgzJLANB8cEOhviAY
|
1374 |
hotspots/probes/rotate-acceptor_7_3d.mol2 |
sha256=ZzK9bWQILFGHwTGt81IyMVHaaMm1H4FjLxTQWDbrAy8
|
1874 |
hotspots/probes/rotate-acceptor_7_flat.mol2 |
sha256=zVWQ0HSzF1bazWp8STXJieBJGfiQC6uEv4589yrUWZ4
|
1469 |
hotspots/probes/rotate-acceptor_8_3d.mol2 |
sha256=mHt5ksOMqktXehtznBLKqzkdxJ5XQZPVphGeSEQXk8s
|
1969 |
hotspots/probes/rotate-acceptor_8_flat.mol2 |
sha256=742QiHzg_XJ52tW_bYOu2xLM9Wmkn-8r0VASbi-5qOQ
|
1566 |
hotspots/probes/rotate-apolar_3_3d.mol2 |
sha256=U_keyevgR7MfelScRv5XW3QpMdDjLBEC54apTjYmaVo
|
1254 |
hotspots/probes/rotate-apolar_3_flat.mol2 |
sha256=dTXqVdwG0kWz6Nps2lcsiBQQD6gJO0LhYzMu5fWfcUY
|
1089 |
hotspots/probes/rotate-apolar_4_3d.mol2 |
sha256=hduU5W6xR9XJt3f_42LyyGS0ZOETReTl_9PN9yiZ5WM
|
1539 |
hotspots/probes/rotate-apolar_4_flat.mol2 |
sha256=JTKbzEf5gIihRbtyTzkeE108iTOMw9mr6wcKLQZV8iA
|
1374 |
hotspots/probes/rotate-apolar_5_3d.mol2 |
sha256=p9RFNVhg3lLoDrU8V-xOBeydZAoaOkO1jqr9TrvEdyk
|
1494 |
hotspots/probes/rotate-apolar_5_flat.mol2 |
sha256=3tMxmSJaNn4J0qWnC_s0eEVJc7onXSaYY2PFb9TfrUw
|
1279 |
hotspots/probes/rotate-apolar_6_3d.mol2 |
sha256=XV3edRU7-0clwif4U1hOVKUeJ8_7ms0isfhzxRn3inc
|
1779 |
hotspots/probes/rotate-apolar_6_flat.mol2 |
sha256=yl5oRA4kYfLqNnrXekBl0PL8Vk8Rbxe3kcP3kULJh7Q
|
1374 |
hotspots/probes/rotate-apolar_7_3d.mol2 |
sha256=gRMz-z2rwTEye4ZI9N7r5xTc5s7vVqYAI-uvJ_k86pE
|
2064 |
hotspots/probes/rotate-apolar_7_flat.mol2 |
sha256=KXC_85wiS4WnPhKZ4AlZ3s7uMMY1HhVsJHr1BumW-8s
|
1659 |
hotspots/probes/rotate-apolar_8_3d.mol2 |
sha256=cT7G62JPuA6pDnvGbm9Jmmk8p82nmDziVzq1u2e3wy4
|
2349 |
hotspots/probes/rotate-apolar_8_flat.mol2 |
sha256=D3mye17mgPGsdFbOiwrwLxtADPgGJrsf91v6u3L515E
|
2229 |
hotspots/probes/rotate-donor_3_3d.mol2 |
sha256=vAKnDn4OKcHTRRyeLuirm_U2nx62Uq54OPClITo4cNE
|
1159 |
hotspots/probes/rotate-donor_3_flat.mol2 |
sha256=p9X-0ETJopPEvrXe1Bw38PnIDdlip1ZWUgKVbGvrzEc
|
994 |
hotspots/probes/rotate-donor_4_3d.mol2 |
sha256=HD395Wjk8BPy9VfQ6EvJrU0Sa87HS_qYswZ8MRoqzJs
|
1541 |
hotspots/probes/rotate-donor_4_flat.mol2 |
sha256=xqhQdXWqmi76HgKRkRC5ATykRbHK9eFC5UVauZ_KcdY
|
1279 |
hotspots/probes/rotate-donor_5_3d.mol2 |
sha256=_Hdrn60oRjBi5RMrxsrmgUdPlbOs5vI8lHezvgCK_cc
|
1399 |
hotspots/probes/rotate-donor_5_flat.mol2 |
sha256=VNFY8vk6N24wcnGt86QJWf1UN1Xi35wiEEb2_02zctk
|
1184 |
hotspots/probes/rotate-donor_6_3d.mol2 |
sha256=y2YeGO_15tb3vWJz43IbIisgDa6U4BUyqj3BC5TWifY
|
1684 |
hotspots/probes/rotate-donor_6_flat.mol2 |
sha256=0YVu2ZZCdvGjs1SirFctniI3pdoD9GpHjNZj4tqJhLg
|
1469 |
hotspots/probes/rotate-donor_7_3d.mol2 |
sha256=7lDij5p4Dg3PhNFP-60iWgEae4pGBw7J9qw7Pwcyl0E
|
1969 |
hotspots/probes/rotate-donor_7_flat.mol2 |
sha256=8z9a79GvPw7mqTRTvPtX5tvPNXPOFsMldu-_LJfUiTU
|
1564 |
hotspots/probes/rotate-donor_8_3d.mol2 |
sha256=4PLtjZH29BcHxLPyseTk4S3V5wiPs9GvG2Aeyl0nNJI
|
2159 |
hotspots/probes/rotate-donor_8_flat.mol2 |
sha256=zu5L4AsWwzXkbm7q3p7ky3dABQHd2wwoz8SEwob5ByA
|
1849 |
hotspots/probes/rotate-negative_3_flat.mol2 |
sha256=IKK9SQ7ASjqS9gQp4myimR-v4Xo0vrdcoXuzfhZ-vrY
|
902 |
hotspots/probes/rotate-negative_7_flat.mol2 |
sha256=Tyy0G8_UD-KDkXkxPUQVHbY2YbYyw0j9rWcgMNpbQYM
|
1472 |
hotspots/probes/rotate-negative_8_flat.mol2 |
sha256=46al3WZNIQw8YhvssxDBNaYIsWEnhnc3R4-NbxE6ifA
|
982 |
hotspots/probes/rotate-negative_test_flat.mol2 |
sha256=fuhrPZQjI5eKiPW9Y7lJqW1mm-v2sOayZf6C6IgHWTk
|
1472 |
hotspots/probes/rotate-positive_3_flat.mol2 |
sha256=SF8PRCOx-PJtBAXvZAxndjDfFOF2dX4sejoZAG29tp0
|
996 |
hotspots/probes/rotate-positive_7_flat.mol2 |
sha256=6bbttmAoBBDlQ-QjjFKBKdRKvt7Z8FCzCy9-9XH3MQ8
|
1566 |
hotspots/probes/rotate-positive_8_flat.mol2 |
sha256=eS-7hxRWpDRvOjBQSUy3ksiR7PSceYPQzAMEfWKmfTU
|
982 |
hotspots/probes/rotate-positive_test_flat.mol2 |
sha256=pKiilOk4xqY7SNy_--8OiWyqkygwu3Z-Ku9c1sBiB9c
|
1471 |
hotspots-1.0.3.dist-info/LICENSE |
sha256=bp7Uv_8_P6c2h93wSwcKsEjJRQowh154PXy03STpjqU
|
1100 |
hotspots-1.0.3.dist-info/METADATA |
sha256=_Dn0eG-Q_-ALobDX_p9bYwmTlGZ2AHeGZlWcZQ_j1r4
|
7917 |
hotspots-1.0.3.dist-info/WHEEL |
sha256=U88EhGIw8Sj2_phqajeu_EAi3RAo8-C6zV3REsWbWbs
|
92 |
hotspots-1.0.3.dist-info/top_level.txt |
sha256=0vuUDy1aMnf6uEtmw_k-YkwSCJvc1TVrT0HFHmeEMYs
|
9 |
hotspots-1.0.3.dist-info/RECORD |
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