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.gitattributes
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| 570 |
5j86_ligand_30_529_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 571 |
5j86_ligand_30_529_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5j86_ligand_30_529_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5j86_ligand_30_529_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5j86_ligand_30_529_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 572 |
5j86_ligand_30_529_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5lwd_ligand_13_51_dock/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
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5lwd_ligand_13_51_dock/MCpath17.xyz
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S 52.3422 54.1465 48.2595
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S 52.3330 54.1802 48.2393
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S 52.3324 54.2115 48.2016
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S 52.3368 54.2634 48.1470
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S 52.3027 54.2497 48.1087
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S 52.3199 54.2035 48.0388
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S 52.3871 54.2778 47.9346
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5lwd_ligand_13_51_dock/Pro_lig17.h5md
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version https://git-lfs.github.com/spec/v1
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oid sha256:432e23f276610701891107cfb1e758cdee6104a644cd113a66784a8a09aa9c60
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size 474960
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5lwd_ligand_13_51_dock/ligand.mol2
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| 1 |
+
@<TRIPOS>MOLECULE
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| 2 |
+
5lwd_ligand_13_51_dock.mol2
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65 65 1 0 0
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SMALL
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USER_CHARGES
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@<TRIPOS>ATOM
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| 74 |
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@<TRIPOS>BOND
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1 1 13 2
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@<TRIPOS>SUBSTRUCTURE
|
| 141 |
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1 UNK 19 GROUP 4 A **** 0
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| 142 |
+
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5lwd_ligand_13_51_dock/pro_lig_topology.pdb
ADDED
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The diff for this file is too large to render.
See raw diff
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5lwd_ligand_13_51_dock/protein.pdb
ADDED
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The diff for this file is too large to render.
See raw diff
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5lwd_ligand_13_51_dock/system.pdb
ADDED
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The diff for this file is too large to render.
See raw diff
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