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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Edit
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Change content and properties of the soup
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Simulation
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Simulate the soup
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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
For quick measurements, click on an atom, then hold down <Ctrl> and click on up to three more atoms. When analyzing a molecular dynamics simulation,
distance
s,
angle
s,
dihedral
s and
radii
can also be measured from within a macro. The same holds for
distances between geometric centers
,
angles between regression lines
and
dihedrals between planes
fit to groups of atoms.
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Angle
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Set/get angle between atoms
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Dihedral
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Set/get dihedral angle between atoms
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Distance
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Set/get distance between atoms
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GroupAngle
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Get angle between two atom groups
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GroupDihedral
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Get dihedral angle between two atom groups
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GroupDistance
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Get distance between two atom groups
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Optimize<Res|Mol|Obj|All>
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Optimize molecular geometry
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Radius<Atom|Res|Mol|Obj|All>
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Calculate the VdW radius
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Regularize<Obj|All>
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Regularize covalent geometry
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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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Effects
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Change and animate the scene
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Options
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Other commands
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Window
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Change the display properties
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Help
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Access the documentation and solve problems
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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