previus merging cli

e-mayo · Mar 20, 2021 · bdb74fb · bdb74fb
1 parent 2bb713d
commit bdb74fb
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Showing 6 changed files with 8 additions and 136 deletions.
diff --git a/data/config_plants_speed1.txt b/data/config_plants_speed1.txt
@@ -17,8 +17,8 @@ search_speed speed1              # speed1 (highes realibility) speed2 speed4 (hi
 # flip_ring_corners 0             # activate (1) or deactivate flipping of free ring corners (standard: 0)
 
 # BINDING SITE 
-bindingsite_center 53.96 -19.44 38.39 
-bindingsite_radius 13.91
+bindingsite_center 62.21 5.02 -23.68 
+bindingsite_radius 17.83
 
 # CLUSTER ALGORITHM
 cluster_rmsd 2.0                 # RMSD similarity threshold for cluster algorithm (standard:2.0)

diff --git a/data/config_plants_speed2.txt b/data/config_plants_speed2.txt
diff --git a/data/config_plants_speed4.txt b/data/config_plants_speed4.txt
diff --git a/data/config_vina_ex1.txt b/data/config_vina_ex1.txt
diff --git a/data/config_vina_ex16.txt b/data/config_vina_ex16.txt
diff --git a/data/config_vina_ex8.txt b/data/config_vina_ex8.txt
@@ -1,11 +1,9 @@
-center_x = 54.0 
-center_y = -19.4 
-center_z = 38.4 
-size_x = 17.3 
-size_y = 13.0 
-size_z = 17.4
+center_x = 62.467
+center_y = 4.815
+center_z = -32.164
+size_x = 40    
+size_y = 40    
+size_z = 40
 exhaustiveness = 8
 num_modes = 10
 
-
-