|
CTRL+O
|
Command+O
|
open file
|
|
CTRL+I
|
Command+I
|
insert file
|
|
CTRL+S
|
Command+S
|
save to repository
|
|
CTRL+SHIFT+S
|
Command+SHIFT+S
|
save as file
|
|
CTRL+W
|
Command+W
|
close current data
|
|
CTRL+ALT+SHIFT+D
|
Option+SHIFT+Comand+D
|
delete from Local Repository
|
|
CTRL+ALT+SHIFT+I
|
Option+SHIFT+Command+I
|
import repository
|
|
CTRL+ALT+SHIFT+E
|
Option+SHIFT+Command+E
|
export repository
|
|
CTRL+ALT+SHIFT+C
|
Option+SHIFT+Command+C
|
clear Local Repository
|
|
CTRL+ALT+P
|
Option+Command+P
|
print preview
|
|
CTRL+P
|
Command+P
|
print
|
|
CTRL+SHIFT+F
|
SHIFT+Command+F
|
restore factory defaults
|
|
CTRL+SHIFT+1...9
|
SHIFT+Command+1...9
|
open recent file
|
|
CTRL+Q
|
Command+Q
|
quit LigandScout
|
|
CTRL+Z
|
Command+Z
|
undo
|
|
CTRL+Y
|
Command+Y
|
redo
|
|
CTRL+A
|
Command+A
|
select all
|
|
DEL
|
Function+Backspace
|
delete selected elements
|
|
CTRL+SHIFT+P
|
Command+SHIFT+P
|
open preferences dialog
|
|
CTRL+R
|
Command+R
|
re-interpret ligand
|
|
CTRL+SHIFT+C
|
SHIFT+Command+C
|
move selection to ligand side
|
|
CTRL+SHIFT+E
|
SHIFT+Command+E
|
move selection to macromolecule side
|
|
CTRL+SHIFT+B
|
SHIFT+Command+B
|
create new bond
|
|
+
|
+
|
increase charge of selected elements
|
|
-
|
-
|
decrease charge of selected elements
|
|
CTRL+SHIFT+J
|
SHIFT+Command+J
|
ionize acids and bases
|
|
CTRL+SHIFT+K
|
SHIFT+Command+K
|
neutralize acids and bases
|
|
CTRL+SHIFT+L
|
SHIFT+Command+L
|
move all water molecules and metals to ligand side
|
|
CTRL+SHIFT+M
|
SHIFT+Command+M
|
move all water molecules and metals to macromolecule side
|
|
CTRL+ALT+O
|
Option+Command+O
|
minimize the MMFF94 energy of the molecule
|
|
CTRL+ALT+SHIFT+O
|
Option+Command+SHIFT+O
|
minimize the MMFF94 energy of the side chains (including water molecules)
|
|
CTRL+ALT+SHIFT+X
|
Option+Command+SHIFT+X
|
minimize the MMFF94 energy of the core molecule and the side chains (including water molecules)
|
|
CTRL+ALT+G
|
Option+Command+G
|
generate ligand tautomers
|
|
CTRL+F9
|
Command+F9
|
create pharmacophore
|
|
SHIFT+F9
|
SHIFT+F9
|
create simplified pharmacophore (Catalyst)
|
|
CTRL+SHIFT+F9
|
SHIFT+Command+F9
|
create simplified pharmacophore (MOE)
|
|
CTRL+SHIFT+F10
|
SHIFT+Command+F10
|
create simplified pharmacophore (Phase)
|
|
CTRL+ALT+ SHIFT+P
|
Option+SHIFT+Command+P
|
clear pharmacophore
|
|
CTRL+SHIFT+NumPad+
|
SHIFT+Command++
|
increase selected feature tolerance by 0.15A
|
|
CTRL+SHIFT+NumPad-
|
SHIFT+Command+-
|
increase selected feature tolerance by 0.15A
|
|
CTRL+ALT+C
|
Option+Command+C
|
center coordinates of all structures
|
|
CTRL+ALT+R
|
Option+Command+R
|
set reference
|
|
CTRL+ALT+X
|
Option+Command+X
|
clear all elements
|
|
CTRL+ALT+M
|
Option+Command+M
|
combine features in one pharmacophore
|
|
CTRL+ALT+T
|
Option+Command+T
|
interpolate all features within tolerances
|
|
CTRL+E
|
Command+E
|
interpolate features
|
|
CTRL+V
|
Command+V
|
simple rendering while moving
|
|
CTRL+L
|
Command+L
|
toggle background color (between black and white)
|
|
CTRL+Page Up
|
Command+Page Up
|
center camera on ligand
|
|
CTRL+Page Down
|
Command+Page Down
|
center camera on binding site
|
|
CTRL+ALT+SHIFT+W
|
|
ligand van der waals surface
|
|
CTRL+ALT+SHIFT+A
|
|
ligand solvent accessible surface
|
|
CTRL+ALT+SHIFT+M
|
|
ligand molecular surface
|
|
CTRL+ALT+SHIFT+B
|
|
surface of receptor binding pocket
|
|
CTRL+SHIFT+U
|
SHIFT+Command+U
|
recalculate & update surface
|
|
CTRL+2
|
Command+2
|
toggle 2D View
|
|
CTRL+T
|
Command+T
|
toggle Hierarchy View
|
|
CTRL+SHIFT+A
|
SHIFT+Command+A
|
show all views and tables
|
|
CTRL+SHIFT+V
|
SHIFT+Command+V
|
show 3D View only
|
|
F1
|
SHIFT+Command+H
|
user manual, tutorials, examples
|
|
1, 2, 3
|
1, 2, 3
|
set the specified bond type to the selected bond(s)
|
|
C, N, O, P, S
|
C, N, O, P, S
|
set the specified atom type to the selected atom(s)
|
|
Cursor-LEFT
|
Cursor-LEFT
|
left rotation in 3D viewer
|
|
Cursor-RIGHT
|
Cursor-RIGHT
|
right rotation in 3D viewer
|
|
Cursor-UP
|
Cursor-Up
|
up rotation in 3D viewer
|
|
Cursor-DOWN
|
Cursor-Down
|
down rotation in 3D viewer
|
|
CTRL+Cursor-LEFT
|
Command+Cursor-LEFT
|
left rotation in 3D viewer by 90 degrees
|
|
CTRL+Cursor-RIGHT
|
Command+Cursor-RIGHT
|
right rotation in 3D viewer by 90 degrees
|
|
CTRL+Cursor-UP
|
Command+Cursor-Up
|
up rotation in 3D viewer by 90 degrees
|
|
CTRL+Cursor-DOWN
|
Command+Cursor-Down
|
down rotation in 3D viewer by 90 degrees
|
