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
°
Force fields - Get the recipe
°
Simulation parameters - Choose your favorite ingredients
Switch between
normal molecular dynamics
at a
given temperature
,
simulated annealing
with a
certain cooling level
and
energy minimization
with a
maximum step size
.
Control the pressure
in the cell, set the simulation
time
, the
time step
and the
number of screen updates per simulation step
.
°
AnnealSteps
-
Set simulated annealing steps
°
MinStep
-
Set energy minimization step
°
PressureCtrl
-
Set pressure control
°
SimSteps
-
Set number of simulation steps per screen update
°
Temp
-
Set/get simulation temperature
°
TempCtrl
-
Set temperature control
°
Time
-
Set/get simulation time
°
TimeStep
-
Set simulation time step
°
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