Endonuclease PvuII (1PVI) DNA - GATTACAGATTACA
CAP - Catabolite gene Activating Protein (1BER)
DNA - GATTACAGATTACAGATTACA Endonuclease PvuII bound to palindromic DNA recognition site CAGCTG (1PVI) DNA - GATTACAGATTACAGATTACA TBP - TATA box Binding Protein (1C9B)
CAP - Catabolite gene Activating Protein (1BER)
GCN4 - leucine zipper transcription factor bound to palindromic DNA recognition site ATGAC(G)TCAT (1YSA)
GCN4 - leucine zipper transcription factor bound to palindromic DNA recognition site ATGAC(G)TCAT (1YSA)
GCN4 - leucine zipper transcription factor bound to palindromic DNA recognition site ATGAC(G)TCAT (1YSA)
GCN4 - leucine zipper transcription factor bound to palindromic DNA recognition site ATGAC(G)TCAT (1YSA)
GCN4 - leucine zipper transcription factor bound to palindromic DNA recognition site ATGAC(G)TCAT (1YSA)
TBP - TATA box Binding Protein (1C9B)
 

Your guide to YASARA View



° 

Essentials

-

What you really have to know


° 

Selections

-

Tell YASARA what you want


° 

Commands

-

Tell YASARA what to do


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File

-

Load and save the scene or parts of it


° 

New scene - Start again

° 

PDB files - Load and save objects in plain PDB format

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YASARA objects - Load and save complete objects

° 

YASARA scenes - Load and save the entire scene

° 

OpenBabel

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Import and export molecules using OpenBabel

° 

Screenshots

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Save plain or ray-traced screenshots

° 

MPEG movies - Encode plain or ray-traced animations

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Simulation snapshots - Load and save simulation states

° 

Exit

-

Quit YASARA

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Edit

-

Change content and properties of the soup


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History

-

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

-

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

° 

Analyze

-

Analyze the soup


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Atom position - Calculate average positions and RMSFs

° 

Superposition

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Align atoms and calculate RMSDs

° 

Contacts

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List contacts and hydrogen bonds

° 

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

° 

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

° 

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

° 

Lighting

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Light the scene

° 

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

° 

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

° 

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

° 

Formats

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Choose the residue output format

° 

Logs

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Redirect output to a file

° 

Plugins

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Run plugins from a macro

° 

Default pH - Set the H+ ion concentration and residue pKas

° 

Quantum mechanics - Configure YAPAC

° 

Coordinate system - Live in a left or right handed world

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Units

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Choose your favorite units

° 

Parallel computations - Configure multi CPU core usage

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Input devices - Configure the interaction with YASARA

° 

Shell

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Execute shell commands

° 

Window

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Change the display properties


° 

Location

-

Place the YASARA window

° 

Menus

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Change the appearance of menus

° 

Console

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Configure the console

° 

Antialiasing

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Smooth is better

° 

Frequency

-

Change the frames per second and save battery power

° 

Stereo

-

Time to touch your molecules

° 

Help

-

Access the documentation and solve problems


° 

Manual

-

Browse the HTML documentation

° 

Installation

-

Download missing programs

° 

Index

-

All commands in alphabetic order


° 

Recipes

-

Answer complex questions


° 

Macros

-

Automate your work with Yanaconda


° 

Plugins

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Extend YASARA with your own functions


° 

Scripts

-

Use YASARA as a Python module


° 

Troubleshooting

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Get things going