Your guide to YASARA View
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Essentials
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What you really have to know
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Selections
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Tell YASARA what you want
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Commands
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Tell YASARA what to do
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File
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Load and save the scene or parts of it
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New scene - Start again
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PDB files - Load and save objects in plain PDB format
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YASARA objects - Load and save complete objects
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YASARA scenes - Load and save the entire scene
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OpenBabel
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Import and export molecules using OpenBabel
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Screenshots
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Save plain or ray-traced screenshots
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MPEG movies - Encode plain or ray-traced animations
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Simulation snapshots - Load and save simulation states
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Exit
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Quit YASARA
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Edit
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Change content and properties of the soup
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History
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Undo and redo changes
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Objects
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Center, transform, transfer, remove, add and delete
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Split points - Edit split points, split and join entire objects
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Bonds
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Add, type and delete bonds
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Building
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Build atoms to molecules, oligomers, crystals and loops
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Geometry
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Set or optimize distances, angles and dihedrals
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Sampling
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Search conformational space
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Surface environments - Define the context of surface analysis
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Hydrogens
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Add, swap and delete
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Water
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Delete all waters
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Names and numbers - Set or get properties of atoms to objects
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Simulation
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Simulate the soup
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Preparing a simulation - Define and fill the cell
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Force fields - Get the recipe
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Simulation parameters - Choose your favorite ingredients
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Restraints
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Enforce distances and dihedral angles
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Running a simulation - Keep the soup from boiling
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Analyze
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Analyze the soup
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Atom position - Calculate average positions and RMSFs
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Superposition
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Align atoms and calculate RMSDs
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Contacts
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List contacts and hydrogen bonds
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Energy
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Calculate energies
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Electrostatics
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Calculate electrostatic potentials and charges
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Geometry
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Measure distances, angles, dihedrals and radii
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Rotamers
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Show rotamer distributions
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Secondary structure - Calculate secondary structure content
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Surface areas - Calculate VdW, molecular and accessible surfaces
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Volumes
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Calculate VdW, molecular and solvent accessible volumes
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Soup content - List, count and compare units, get boundaries
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Checks
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Search for errors
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View
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Change the appearance of the soup
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Colors
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Add a fourth dimension to your figures
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Visibility
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Show and hide, switch on and off
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Style
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Display atoms as balls, balls&sticks, sticks and traces
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Secondary structure - Show tubes, ribbons and cartoons
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Surfaces
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Show VdW, molecular and solvent accessible surfaces
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Hydrogen bonds - Show hydrogen bonds
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Atoms
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Choose atom styles
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Projection
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Switch the perspective
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Lighting
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Light the scene
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Effects
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Change and animate the scene
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Position
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Place and move objects
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Orientation
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Orient and rotate objects
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Labels
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Display text labels
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Marks and zooms - Mark atoms with fireflies and zoom in
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Arrows
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Show arrows connecting atoms or points
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Solids
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Show spheres, boxes, pyramids, cylinders, tori and others
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Images
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Show and animate bitmaps
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Text
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Print text, possibly in 3D letters
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Options
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Other commands
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Experiments
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Let YASARA cook for you
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Macros
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Watch YASARA do the work for you
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Tables
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Collect, visualize and export data
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Formats
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Choose the residue output format
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Logs
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Redirect output to a file
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Plugins
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Run plugins from a macro
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Default pH - Set the H+ ion concentration and residue pKas
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Quantum mechanics - Configure YAPAC
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Coordinate system - Live in a left or right handed world
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Units
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Choose your favorite units
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Parallel computations - Configure multi CPU core usage
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Input devices - Configure the interaction with YASARA
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Shell
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Execute shell commands
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Window
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Change the display properties
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Location
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Place the YASARA window
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Menus
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Change the appearance of menus
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Console
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Configure the console
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Antialiasing
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Smooth is better
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Frequency
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Change the frames per second and save battery power
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Stereo
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Time to touch your molecules
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Help
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Access the documentation and solve problems
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Manual
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Browse the HTML documentation
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Installation
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Download missing programs
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Index
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All commands in alphabetic order
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Recipes
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Answer complex questions
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Macros
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Automate your work with Yanaconda
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Plugins
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Extend YASARA with your own functions
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Scripts
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Use YASARA as a Python module
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Troubleshooting
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Get things going