Your guide to YASARA View
°
Essentials
-
What you really have to know
°
Selections
-
Tell YASARA what you want
°
Commands
-
Tell YASARA what to do
°
File
-
Load and save the scene or parts of it
°
Edit
-
Change content and properties of the soup
°
Simulation
-
Simulate the soup
°
Preparing a simulation - Define and fill the cell
First
define a simulation cell
with
true walls or periodic boundaries
, then fill it
with objects
and
water
. A more sophisticated way of filling the cell includes
pKa prediction, counter ion placement and a simulation of the solvent to arrive at the right density
.
°
Boundary
-
Set cell boundary
°
Cell
-
Set/get simulation cell dimensions
°
FillCellObj
-
Fill simulation cell with object
°
FillCellWater
-
Fill simulation cell with water
°
Force fields - Get the recipe
°
Simulation parameters - Choose your favorite ingredients
°
Restraints
-
Enforce distances and dihedral angles
°
Running a simulation - Keep the soup from boiling
°
Analyze
-
Analyze the soup
°
View
-
Change the appearance of the soup
°
Effects
-
Change and animate the scene
°
Options
-
Other commands
°
Window
-
Change the display properties
°
Help
-
Access the documentation and solve problems
°
Index
-
All commands in alphabetic order
°
Recipes
-
Answer complex questions
°
Macros
-
Automate your work with Yanaconda
°
Plugins
-
Extend YASARA with your own functions
°
Scripts
-
Use YASARA as a Python module
°
Troubleshooting
-
Get things going