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Contents
- .vmdrc
- Hot Keys
- .vmdrc
- .vmdrc and vmd.rc Files
- vmd.rc
- .vmdrc and vmd.rc Files
- .mailcap
- Setting up your .mailcap
- .vmdsensors
- Configuring input devices
- .vmdrc
- Using text commands
- vmd.rc
- Using text commands
- ACTC
- Copyright and Disclaimer Notices
- AMBER
- files
- Loading A Molecule
| Reading Trajectory Frames
- Ambient Occlusion
- Display Menu and Display
- ambient occlusion lighting
- display
| render
- analysis
- scripting
- Using the atomselect command
- speed
- Using the atomselect command
- angles
- Label categories
- animate
- command
- Tcl Text Commands
| Tcl Text Commands
- Python module
- animate
- window controls
- Main Window Animation Controls
- animation
- A Quick Animation
- appending
- Reading Trajectory Frames
- delete
- Deleting Trajectory Frames
| animate
| animate
- duplicate frame
- animate
- frames
- Reading Trajectory Frames
- goto end
- animate
- goto start
- animate
- hot keys
- Hot Keys
- jump
- Jumping to Specific Frames
| animate
- movie
- Making a Movie
- play
- animate
- read
- Reading Trajectory Frames
| animate
- smoothing
- Trajectory Smoothing.
| mol
| molrep
- speed
- Animation Speed
| animate
- step
- Animation Speed
- style
- animate
- loop
- Looping Styles
- once
- Looping Styles
- rock
- Looping Styles
- write
- Saving Trajectory Frames
| animate
- antialiasing
- Display Menu and Display
| display
| render
- atom
- changing properties
- Using the atomselect command
- color
- auto-update
- mol
- coordinates
- rotate
| scale
| translate
- changing
- Comparing Two Structures
| Using the atomselect command
- min and max
- Coordinate min and max
- info
- atomselect
| Using the atomselect command
- name lists
- Selections Tab
| Selections Tab
- picking
- Comparing Two Structures
- selection
- Viewing a molecule: Myoglobin
| An Introduction to Atom
| Molecular Drawing Methods
| Selection Methods
| atomselect
| Using the atomselect command
- auto-update
- mol
- changing properties
- An atom selection example
- comparison
- Comparison selections
- default
- mol
- examples
- An Introduction to Atom
| Selection Methods
- keywords
- Selections Tab
| Selection Methods
| Definition of Keywords and
| Definition of Keywords and
- logic
- Short Circuiting
- macros
- Selections Tab
| atomselect
| The AtomSel class (DEPRECATED)
- math functions
- Definition of Keywords and
- modes
- Selection Methods
- Python
- Atom selections in Python
- macros
- The AtomSel class (DEPRECATED)
- quoting
- Quoting with Single Quotes
- regular expression
- Double Quotes and Regular
- same
- within and same
- sequence
- sequence
- Tcl
- macros
- atomselect
- text
- Using the atomselect command
- update
- Finding waters near a
- volumetric data
- Definition of Keywords and
- within
- within and same
- atoms
- distance between
- Comparing Two Structures
- plotting
- Plotting a label's value
- atomselect
- command
- Tcl Text Commands
| animate
| Molecular Analysis
| Using the atomselect command
- axes
- Display Menu and Display
- command
- Tcl Text Commands
| atomselect
- Python module
- axes
- Babel
- Babel interface
- backface culling
- Display Menu and Display
- batch mode
- VMD Command-Line Options
- beta values
- Root mean square deviation
- BioCoRE
- For information on our
- bonds
- add or remove
- Mouse Modes
- determining
- What happens when a
- label
- Label categories
| Label categories
- resolution
- Bonds
- unusual
- What happens when a
- cachemode
- Display Menu and Display
- callbacks
- Python
- Python callbacks
- Tcl
- Tcl callbacks
| Tcl callbacks
- center of mass
- Using the atomselect command
- CHARMM
- files
- Loading A Molecule
| Reading Trajectory Frames
- chemical2vmd
- Setting up your .mailcap
- clipping planes
- Display Menu and Display
- user defined
- mol
- collective variables
- colvar
- hardUpperBoundary
- General options for a
- colvar
- expandBoundaries
- General options for a
- colvar
- lowerWallConstant
- Artificial boundary potentials (walls)
- colvar
- lowerWall
- Artificial boundary potentials (walls)
- colvar
- upperWallConstant
- Artificial boundary potentials (walls)
- colvar
- upperWall
- Artificial boundary potentials (walls)
- colvar
- outputValue
- Trajectory output
- colvar
- outputVelocity
- Trajectory output
- colvar
- outputEnergy
- Trajectory output
- colvar
- outputSystemForce
- Trajectory output
- colvar
- outputAppliedForce
- Trajectory output
- colvar
- extendedLagrangian
- Extended Lagrangian.
- colvar
- extendedFluctuation
- Extended Lagrangian.
- colvar
- extendedTimeConstant
- Extended Lagrangian.
- colvar
- extendedTemp
- Extended Lagrangian.
- colvar
- extendedLangevinDamping
- Extended Lagrangian.
- colvar
- corrFunc
- Statistical analysis of collective
- colvar
- corrFuncWithColvar
- Statistical analysis of collective
- colvar
- corrFuncType
- Statistical analysis of collective
- colvar
- corrFuncNormalize
- Statistical analysis of collective
- colvar
- corrFuncLength
- Statistical analysis of collective
- colvar
- corrFuncStride
- Statistical analysis of collective
- colvar
- corrFuncOffset
- Statistical analysis of collective
- colvar
- corrFuncOutputFile
- Statistical analysis of collective
- colvar
- runAve
- Statistical analysis of collective
- colvar
- runAveLength
- Statistical analysis of collective
- colvar
- runAveStride
- Statistical analysis of collective
- colvar
- runAveOutputFile
- Statistical analysis of collective
- atom group
- atomNumbers
- Selection keywords
- atom group
- indexGroup
- Selection keywords
- atom group
- atomNumbersRange
- Selection keywords
- atom group
- atomNameResidueRange
- Selection keywords
- atom group
- psfSegID
- Selection keywords
- atom group
- atomsFile
- Selection keywords
- atom group
- atomsCol
- Selection keywords
- atom group
- atomsColValue
- Selection keywords
- atom group
- dummyAtom
- Selection keywords
- atom group
- centerReference
- Moving frame of reference.
- atom group
- rotateReference
- Moving frame of reference.
- atom group
- refPositions
- Moving frame of reference.
- atom group
- refPositionsFile
- Moving frame of reference.
- atom group
- refPositionsCol
- Moving frame of reference.
- atom group
- refPositionsColValue
- Moving frame of reference.
- atom group
- refPositionsGroup
- Moving frame of reference.
- atom group
- enableFitGradients
- Moving frame of reference.
- atom group
- enableForces
- Moving frame of reference.
- distance
- group1
- distance: center-of-mass distance between
- distance
- group2
- distance: center-of-mass distance between
- distance
- forceNoPBC
- distance: center-of-mass distance between
- distance
- oneSiteSystemForce
- distance: center-of-mass distance between
- distanceZ, distanceXY
- main
- distanceZ: projection of a
- distanceZ, distanceXY
- ref
- distanceZ: projection of a
- distanceZ, distanceXY
- ref2
- distanceZ: projection of a
- distanceZ, distanceXY
- axis
- distanceZ: projection of a
- distanceZ, distanceXY
- forceNoPBC
- distanceZ: projection of a
- distanceZ, distanceXY
- oneSiteSystemForce
- distanceZ: projection of a
- distanceInv
- exponent
- distanceInv: mean distance between
- angle, dihedral
- oneSiteSystemForce
- dihedral: torsional angle between
- coordNum
- cutoff
- coordNum: coordination number between
- coordNum
- cutoff3
- coordNum: coordination number between
- coordNum
- expNumer
- coordNum: coordination number between
- coordNum
- expDenom
- coordNum: coordination number between
- coordNum
- group2CenterOnly
- coordNum: coordination number between
- rmsd
- atoms
- rmsd: root mean square
- rmsd
- refPositions
- rmsd: root mean square
- rmsd
- refPositionsFile
- rmsd: root mean square
- rmsd
- refPositionsCol
- rmsd: root mean square
- rmsd
- refPositionsColValue
- rmsd: root mean square
- eigenvector
- vector
- eigenvector: projection of the
- eigenvector
- vectorFile
- eigenvector: projection of the
- eigenvector
- vectorCol
- eigenvector: projection of the
- eigenvector
- vectorColValue
- eigenvector: projection of the
- eigenvector
- differenceVector
- eigenvector: projection of the
- inertiaZ
- axis
- inertiaZ: total moment of
- orientation
- closestToQuaternion
- orientation: orientation from reference
- tilt, spinAngle
- axis
- spinAngle: angle of rotation
- alpha
- residueRange
- alpha: -helix content
- alpha
- psfSegID
- alpha: -helix content
- alpha
- hBondCoeff
- alpha: -helix content
- alpha
- angleRef
- alpha: -helix content
- alpha
- angleTol
- alpha: -helix content
- alpha
- hBondCutoff
- alpha: -helix content
- alpha
- hBondExpNumer
- alpha: -helix content
- alpha
- hBondExpDenom
- alpha: -helix content
- dihedralPC
- vectorFile
- dihedralPC: protein dihedral pricipal
- dihedralPC
- vectorNumber
- dihedralPC: protein dihedral pricipal
- distanceZ
- period
- Periodic components.
- distanceZ, dihedral or spinAngle
- wrapAround
- Periodic components.
- any component
- componentCoeff
- Linear and polynomial combinations
- any component
- componentExp
- Linear and polynomial combinations
- colvar
- scriptedFunction
- Colvars as scripted functions
- colvar
- scriptedFunctionVectorSize
- Colvars as scripted functions
- colvar bias
- name
- Biasing and analysis methods
- colvar bias
- colvars
- Biasing and analysis methods
- colvar bias
- outputEnergy
- Biasing and analysis methods
- metadynamics
- hillWeight
- Metadynamics
- metadynamics
- newHillFrequency
- Metadynamics
- metadynamics
- writeFreeEnergyFile
- Output files
- metadynamics
- saveFreeEnergyFile
- Output files
- metadynamics
- useGrids
- Performance tuning
- metadynamics
- hillWidth
- Performance tuning
- metadynamics
- rebinGrids
- Performance tuning
- metadynamics
- wellTempered
- Well-tempered metadynamics
- metadynamics
- biasTemperature
- Well-tempered metadynamics
- metadynamics
- multipleReplicas
- Multiple-replicas metadynamics
- metadynamics
- replicaID
- Multiple-replicas metadynamics
- metadynamics
- replicasRegistry
- Multiple-replicas metadynamics
- metadynamics
- replicaUpdateFrequency
- Multiple-replicas metadynamics
- metadynamics
- dumpPartialFreeEnergyFile
- Multiple-replicas metadynamics
- metadynamics
- name
- Compatibility and post-processing
- metadynamics
- keepHills
- Compatibility and post-processing
- metadynamics
- writeHillsTrajectory
- Compatibility and post-processing
- harmonic
- forceConstant
- Harmonic restraints
- harmonic
- centers
- Harmonic restraints
- harmonic
- targetCenters
- Moving restraints: steered molecular
- harmonic
- targetNumSteps
- Moving restraints: steered molecular
- harmonic
- outputCenters
- Moving restraints: steered molecular
- harmonic
- outputAccumulatedWork
- Moving restraints: steered molecular
- harmonic
- targetNumStages
- Moving restraints: umbrella sampling
- harmonic
- targetForceConstant
- Changing force constant
- harmonic
- targetForceExponent
- Changing force constant
- harmonic
- targetEquilSteps
- Changing force constant
- harmonic
- lambdaSchedule
- Changing force constant
- linear
- forceConstant
- Linear restraints
- linear
- centers
- Linear restraints
- global
- scriptedColvarForces
- Scripted biases
- global
- colvarsTrajFrequency
- Configuration syntax for the
- global
- colvarsTrajAppend
- Configuration syntax for the
- global
- colvarsRestartFrequency
- Configuration syntax for the
- global
- indexFile
- Configuration syntax for the
- global
- analysis
- Configuration syntax for the
- colvar
- name
- General options for a
- colvar
- width
- General options for a
- colvar
- lowerBoundary
- General options for a
- colvar
- upperBoundary
- General options for a
- colvar
- hardLowerBoundary
- General options for a
- abf
- applyBias
- Parameters for ABF
- fullSamples
- Parameters for ABF
- hideJacobian
- Parameters for ABF
- historyFreq
- Parameters for ABF
- inputPrefix
- Parameters for ABF
- maxForce
- Parameters for ABF
- outputFreq
- Parameters for ABF
- updateBias
- Parameters for ABF
- alb
- centers
- Adaptive Linear Bias/Experiment Directed
- forceRange
- Adaptive Linear Bias/Experiment Directed
- rateMax
- Adaptive Linear Bias/Experiment Directed
- updateFrequency
- Adaptive Linear Bias/Experiment Directed
- cv command
- Using the cv command
- histogram
- outputFreq
- Multidimensional histograms
- color
- access definitions
- colorinfo
- assignment
- Comparing Two Structures
- background
- Color Window
- category
- Color Window
| Color categories
| Color categories
| Coloring by color categories
| colorinfo
| Coloring Trick - Override
- command
- Coloring Methods
| Tcl Text Commands
| axes
- id
- Draw Style Tab
| Coloring Methods
- in user-defined graphics
- graphics
- index
- colorinfo
- map
- Color Window
- material properties
- graphics
| graphics
- names
- Coloring Methods
| colorinfo
- properties
- colorinfo
- Python module
- color
- redefinition
- Changing the RGB Value
| Creating a set of
- revert to default
- Revert all RGB values
- scale
- Color Scale
| Color scale
| Color scale
| color
| Changing the color scale
- changing
- Color Scale
- set minmax
- mol
| molrep
- window
- Comparing Two Structures
| Color Window
| Coloring Methods
| Color categories
| Coloring by color categories
- color map
- Color categories
- colorinfo
- command
- Tcl Text Commands
| colorinfo
- coloring
- by category
- Coloring by color categories
- by color scale
- Color scale
| Color scale
- by property
- Coloring Trick - Override
- methods
- Viewing a molecule: Myoglobin
| Graphics Window
| Molecular Drawing Methods
| Coloring Methods
| Coloring Methods
| Coloring Methods
| mol
| mol
| Coloring Trick - Override
- Command line options
- VMD Command-Line Options
- contact residues
- Finding contact residues
- copyright
- Copyright and Disclaimer Notices
- Coulomb potential
- volumetric data
- volmap
- cross correlation
- mdffi
- culling
- display
- debug
- command
- Tcl Text Commands
- density
- volumetric data
- volmap
- depth cue
- display
- depth cueing
- Display Menu and Display
- Depth of Field
- Display Menu and Display
- display
- ambient occlusion
- display
- antialiasing
- display
- backgroundgradient
- Display Menu and Display
| display
- command
- Tcl Text Commands
| colorinfo
- depth of field
- display
- device
- VMD Command-Line Options
- dof
- display
- Python module
- display
- update
- display
| Using the molinfo command
| Creating a set of
| Revert all RGB values
- window
- Display Menu and Display
- distance
- volumetric data
- volmap
- distance between atoms
- Comparing Two Structures
- DoF
- Display Menu and Display
- draw
- command
- draw
- drawing
- method
- Viewing a molecule: Myoglobin
| Graphics Window
- drawn
- Main Window Molecule List
- electrostatics
- volumetric data
- volmap
- environment variables
- Environment Variables
- DISPLAY
- Environment Variables
- MSMSSERVER
- MSMS
- SURF_BIN
- Surf
- TCL_LIBRARY
- Core Script Files
- VMD_EXCL_GL_EXTENSIONS
- Environment Variables
- VMDBABELBIN
- Babel interface
| Environment Variables
- VMDCAVEMEM
- Environment Variables
- VMDCUSTOMIZESTARTUP
- Environment Variables
- VMDDIR
- Environment Variables
- VMDDISABLESTEREO
- Environment Variables
- VMDFILECHOOSER
- Environment Variables
- VMDFORCECONSOLETTY
- Environment Variables
- VMDFORCECPUCOUNT
- Environment Variables
- VMDFREEVRMEM
- Environment Variables
- VMDGDISPLAY
- Environment Variables
- VMDGLSLVERBOSE
- Environment Variables
- VMDHTMLVIEWER
- Environment Variables
- VMDIMAGEVIEWER
- Environment Variables
- VMDIMMERSADESKFLIP
- Environment Variables
- VMDMACENABLEEEXTENSIONS
- Environment Variables
- VMDMAXAASAMPLES
- Environment Variables
- VMDMSECDELAYHACK
- Environment Variables
- VMDMSMSUSEFILE
- Environment Variables
- VMDNOCUDA
- Environment Variables
- VMDPREFERSTEREO
- Environment Variables
- VMDSCRDIST
- Environment Variables
- VMDSCRHEIGHT
- Environment Variables
- VMDSCRPOS
- Environment Variables
- VMDSCRSIZE
- Environment Variables
- VMDSHEARSTEREO
- Environment Variables
- VMDSIMPLEGRAPHICS
- Environment Variables
- VMDSPACEBALLPORT
- Spaceball Driver
- VMDTMPDIR
- Environment Variables
- VMDWIREGL
- Environment Variables
- evaltcl
- Python module
- evaltcl
- example scripts
- Python
- calculation
- atom selections
- Changing the selection and
- changing properties of a selection
- An atom selection example
- combining atom selections
- Combining atom selections
- loading molecules
- Molecule
- RMSD
- RMS example
- callbacks
- Python callbacks
- drawing
- creating representations
- MoleculeRep
- Tcl
- calculation
- center of mass of a selection
- Using the atomselect command
- geometric center of a selection
- Using the atomselect command
- mass of a picked atom
- Tcl callbacks
- matrix transformations
- Matrix routines
- min and max atom coordinates
- Coordinate min and max
- move selected atoms
- Using the atomselect command
- radius of gyration
- Radius of gyration
- RMSD between two frames
- Root mean square deviation
- RMSD for all trajectory frames
- A simulation example script
- total mass of a selection
- Total mass of a
- customized startup file example
- .vmdrc and vmd.rc Files
- drawing
- arrows
- draw
- changing color scales
- Changing the color scale
- coloring by distance
- Root mean square deviation
- defining grayscale colors
- Creating a set of
- labels
- draw
- rendering stereo pairs
- Making Stereo Images
- reverting colors to defaults
- Revert all RGB values
- saving and restoring the viewpoint
- Using the molinfo command
- exit
- command
- Tcl Text Commands
- eye separation
- Stereo Parameters
| display
- file
- load
- Viewing a molecule: Myoglobin
- file types
- input
- Loading A Molecule
| Reading Trajectory Frames
- output
- Saving Trajectory Frames
- files
- output
- Rendering an Image
- read
- animate
- reading
- Viewing a molecule: Myoglobin
| A Quick Animation
| Loading A Molecule
| Molecule File Browser Window
| Reading Trajectory Frames
| mol
- startup
- Hot Keys
| VMD Command-Line Options
| Startup Files
| .vmdrc and vmd.rc Files
- writing
- Saving Trajectory Frames
| animate
- fit
- RMSD
- RMS and scripting
| RMSD Computation
- focal length
- Stereo Parameters
| display
- frame
- delete
- Deleting Trajectory Frames
| animate
- duplicate
- animate
- write
- animate
- frames
- Main Window Molecule List
- frames per second indicator
- Display Menu and Display
- geometric center
- Using the atomselect command
- gettimestep
- command
- Tcl Text Commands
| graphics
- gopython
- command
- Using the Python interpreter
- graphics
- command
- graphics
- delete
- graphics
- loading
- graphics
- primitives
- graphics
- Python module
- graphics
- replace
- graphics
- user-defined
- draw
- window
- Graphics Window
- Gromacs
- files
- Loading A Molecule
| Reading Trajectory Frames
- gyration, radius of
- Radius of gyration
- hardware requirements
- Hardware and Software Requirements
- help
- Help
- command
- Tcl Text Commands
| gettimestep
- topics
- help
- highlight
- Selecting residues from the
- hot keys
- Hot Keys
| user
- animation control
- Hot Keys
- customizing
- Hot Keys
- menu control
- Hot Keys
- mouse control
- Hot Keys
- rotation and scaling
- Hot Keys
- hydrogen bonds
- HBonds
| measure
- image
- lighting controls
- Mouse Modes
| Display Menu and Display
- shading and material properties
- Material Window
- imd
- Interactive Molecular Dynamics
- command
- Tcl Text Commands
| help
- Python module
- imd
- requirements
- IMD Connect Simulation Window
- implicit ligand sampling
- volumetric data
- volmap
- Interactive Molecular Dynamics
- Interactive Molecular Dynamics
- interpolation
- volumetric data
- volmap
- joystick
- using
- Using the Joystick in
- label
- command
- Tcl Text Commands
| imd
- Python module
- label
- labels
- Comparing Two Structures
- categories
- Label categories
| label
- delete
- Modifying or deleting a
- hide
- Modifying or deleting a
- picking with mouse
- Pick Modes
- plotting
- Plotting a label's value
| Tcl callbacks
- show
- Modifying or deleting a
- text
- draw
- window
- Labels Window
- light
- command
- Tcl Text Commands
| label
- controlling with mouse
- Mouse Modes
- toggle
- Display Menu and Display
- logfile
- command
- Tcl Text Commands
| logfile
- disable from GUI
- Tracking Script Command Versions
- disable from text
- logfile
- enable from GUI
- Tracking Script Command Versions
- enable from text
- logfile
- logging tcl commands
- Tracking Script Command Versions
| logfile
- mask
- volumetric data
- volmap
- mass
- center of
- Using the atomselect command
- of residue atoms
- Tcl callbacks
- total
- Total mass of a
- material
- changing
- mol
| mol
- command
- Tcl Text Commands
| logfile
- methods
- Graphics Window
- Python module
- material
- material properties
- graphics
| graphics
- matrix routines
- alignment
- Matrix routines
- identity
- Matrix routines
- inverse alignment
- Matrix routines
- list of
- Matrix routines
- multiplication
- Matrix routines
- rotation
- Matrix routines
- trans command
- Matrix routines
- translation
- Matrix routines
- transpose
- Matrix routines
- MDFF
- mdffi
- mdffi
- command
- Tcl Text Commands
| mdffi
- MDTools
- For information on our
- measure
- command
- Tcl Text Commands
| measure
| Analysis scripts
| Coordinate min and max
- menu
- command
- Tcl Text Commands
| measure
- menus
- menu
- molecular surface
- QuickSurf
| Surf
| MSMS
- molecule
- active
- Main Window Molecule List
| Main Window Animation Controls
- analysis
- Analysis scripts
- best-fit alignment
- Computing the Alignment
- command
- Tcl Text Commands
| menu
| mol
- data
- molinfo
- deleting
- Deleting a Molecule
- drawn
- Main Window Molecule List
- fixed
- Comparing Two Structures
| Main Window Molecule List
- graphics
- graphics
- id
- mol
- index
- mol
- info
- Molecular Analysis
- list
- Main Window Molecule List
- loading
- Viewing a molecule: Myoglobin
| A Quick Animation
| graphics
| Root mean square deviation
- Python module
- molecule
- status
- Main Window Molecule List
| mol
- changing
- Changing the Molecule's Status
| mol
| Using the molinfo command
- top
- Main Window Molecule List
| Jumping to Specific Frames
| molinfo
- translation
- Comparing Two Structures
- molinfo
- command
- molecule
| Molecular Analysis
- keywords
- molinfo
- molrep
- Python module
- molrep
- mouse
- add or remove bonds
- Mouse Modes
- callback
- mouse
- command
- Tcl Text Commands
| molinfo
- modes
- Viewing a molecule: Myoglobin
| Comparing Two Structures
| Mouse Modes
| Hot Keys
| mouse
- mouse mode
- Mouse modes
- move
- Pick modes
- atom
- Pick modes
- fragment
- Pick modes
- highlighted rep
- Pick modes
- molecule
- Pick modes
- residue
- Pick modes
- object menus
- Pick modes
- pick information
- Pick information
- rocking
- mouse
- stop rotation
- mouse
- using
- Using the Mouse in
- movies
- Making a Movie
- NAMD
- For information on our
- files
- Loading A Molecule
| Reading Trajectory Frames
- occupancy
- volumetric data
- volmap
- orthographic view
- Display Menu and Display
| Perspective/Orthographic views
- output
- format
- Rendering an Image
- parallel
- command
- Tcl Text Commands
| mouse
- PCRE
- Copyright and Disclaimer Notices
- periodic boundary conditions
- Periodic Tab
- periodic image display
- Periodic Tab
- perspective view
- Display Menu and Display
| Perspective/Orthographic views
- picking
- angles
- Pick Modes
| Pick Modes
- atoms
- Comparing Two Structures
| Pick Modes
| Pick Modes
- bonds
- Comparing Two Structures
| Pick Modes
| Pick Modes
- center
- Pick Modes
- dihedrals
- Pick Modes
| Pick Modes
- distances
- Comparing Two Structures
- hot keys
- Hot Keys
- modes
- Comparing Two Structures
| Pick Modes
- move atom
- Pick Modes
- move fragment
- Pick Modes
- move highlighted rep
- Pick Modes
- move molecule
- Pick Modes
- move residue
- Pick Modes
- query
- Pick Modes
- text command
- mouse
- play
- command
- Using text commands
| Tcl Text Commands
| parallel
| VMD Command-Line Options
- plot
- geometry monitors
- Plotting a label's value
- postscript
- One Step Printing
- potential of mean force
- volumetric data
- volmap
- Python
- Copyright and Disclaimer Notices
- atomsel
- The built-in atomsel type
- environment variables
- Python modules within VMD
- interface
- Python Text Interface
- libraries
- Python modules within VMD
- Numeric
- Python modules within VMD
| vmdnumpy
- RMSD
- The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
- startup
- VMD Command-Line Options
- Tkinter
- Python modules within VMD
| Using Tkinter menus in
- version
- Python Text Interface
- quit
- Main Window
- command
- draw
| play
- quoting
- Quoting with Single Quotes
- radius of gyration
- Radius of gyration
- Ramachandran plot
- RamaPlot
- Raster3D
- Raster3D file format
| Making Stereo Images
- regular expression
- Double Quotes and Regular
| Double Quotes and Regular
- X-PLOR conversion
- Double Quotes and Regular
- remote
- connection
- imd
- detaching
- IMD Using the Simulation
- killing
- IMD Using the Simulation
- modifiable parameters
- IMD Using the Simulation
- options
- imd
- simulation control
- imd
- render
- command
- Tcl Text Commands
| quit
- Python module
- render
- window
- Rendering an Image
| Render Window
- rendering
- Rendering an Image
| Render Window
| Scene Export and Rendering
- ambient occlusion lighting
- display
| render
- antialiasing
- render
- ART
- Higher Quality Rendering
- caveats and considerations
- Caveats
- exec command
- render
- Gelato
- Higher Quality Rendering
- in background process
- Render Window
- list of supported renderers
- Higher Quality Rendering
- methods
- Higher Quality Rendering
| render
- PostScript
- Higher Quality Rendering
- POV-Ray
- Higher Quality Rendering
- Radiance
- Higher Quality Rendering
- Raster3D
- Higher Quality Rendering
- Rayshade
- Higher Quality Rendering
- RenderMan
- Higher Quality Rendering
- stereo
- Making Stereo Images
- STL
- Higher Quality Rendering
- Tachyon
- Acknowledgments
| Copyright and Disclaimer Notices
| Rendering an Image
| Higher Quality Rendering
| render
- TachyonInternal
- Higher Quality Rendering
| render
- TachyonLOptiXInteractive
- Higher Quality Rendering
- TachyonLOptiXInternal
- Higher Quality Rendering
- VRML-1
- Higher Quality Rendering
- VRML-2
- Higher Quality Rendering
- Wavefront
- Higher Quality Rendering
- X3D
- Higher Quality Rendering
- X3DOM
- Higher Quality Rendering
- rendering modes
- display
- rendermode
- Display Menu and Display
- representation
- Molecular Drawing Methods
| mol
- add new
- Adding a rep.
- adding
- Adding a rep.
- auto-update
- Selection and Color auto-update.
- Beads
- Beads
- Bonds
- Bonds
- Cartoon
- Cartoon
- changing
- An Introduction to Atom
| Changing a rep.
| mol
- clipping planes
- user defined
- mol
- CPK
- CPK
- deleting
- Deleting a rep.
| Deleting a rep.
- dotted van der Waals
- Dotted
- draw multiple frames
- mol
- DynamicBonds
- DynamicBonds
- examples
- Some Nice Represenations
- FieldLines
- FieldLines
- HBonds
- HBonds
- hiding
- Hiding a rep.
- Isosurface
- Isosurface
- Licorice
- Licorice
- Lines
- Lines
- list of available
- Rendering methods
- MSMS
- MSMS
- NewCartoon
- NewCartoon
- NewRibbons
- NewRibbons
- Orbital
- Orbital
- PaperChain
- PaperChain
- Points
- Points
- Polyhedra
- Polyhedra
- QuickSurf
- QuickSurf
- Ribbons
- Ribbons
- show/hide
- mol
| molrep
- solvent representation
- Solvent
- style
- Viewing a molecule: Myoglobin
| Graphics Window
| Molecular Drawing Methods
| mol
- Surf
- Surf
- Trace
- Trace
- Tube
- Tube
- Twister
- Twister
- van der Waals
- VDW
- VolumeSlice
- VolumeSlice
- represention
- auto-update
- mol
- reset view
- Display Menu and Display
- resetview
- display
- restore
- viewpoint
- Using the molinfo command
- vmd state
- Saving your work
- RMS
- Fit
- RMS Fit and Alignment
- RMS:Alignment
- RMS Fit and Alignment
- RMSD
- The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
| The AtomSel class (DEPRECATED)
| RMS example
| Root mean square deviation
| RMS and scripting
| RMSD Computation
| A simulation example script
- rock
- Looping Styles
- command
- Tcl Text Commands
| render
- rotate
- command
- Tcl Text Commands
| rock
- side chain
- Using the atomselect command
- rotation
- continuous
- Mouse Modes
- hot keys
- Hot Keys
- stop
- Mouse Modes
- using mouse
- Mouse Modes
- save
- configuration
- Saving your work
- logfile
- Tracking Script Command Versions
- viewpoint
- Using the molinfo command
- vmd state
- Saving your work
| Saving and Restoring Molecule
- scale
- command
- Tcl Text Commands
| rotate
- scaling
- using mouse
- Mouse Modes
- screen parameters
- Display Menu and Display
- scripts
- play
- Using text commands
- source
- Using text commands
- secondary structure codes
- Sequence information
- selection
- Viewing a molecule: Myoglobin
| An Introduction to Atom
| Graphics Window
| Molecular Drawing Methods
| atomselect
| mol
| Using the atomselect command
- comparison
- Comparison selections
- keywords
- Selections Tab
| Selection Methods
| Definition of Keywords and
- boolean
- Boolean Keywords
- logic
- Short Circuiting
- math functions
- Definition of Keywords and
- modes
- Selection Methods
- text
- Using the atomselect command
- volumetric data
- Definition of Keywords and
- sensor configuration file
- Configuring input devices
- sensors
- Configuring input devices
- sequence
- Sequence information
- caveats
- Caveats
- dna
- Sequence Window
- window
- Sequence Window
- zooming
- Sequence Zooming
- Shadows
- Display Menu and Display
- short circuit logic
- Short Circuiting
| within and same
- sleep
- command
- Tcl Text Commands
| wait
- source
- command
- Using text commands
- spaceball
- driver
- Acknowledgments
| Spaceball Driver
- serial
- Spaceball Driver
- windowing system
- Spaceball Driver
- modes
- Using the Spaceball in
- using
- Using the Spaceball in
- SpaceNavigator
- driver
- Spaceball Driver
- windowing system
- Spaceball Driver
- modes
- Using the Spaceball in
- using
- Using the Spaceball in
- stage
- Display Menu and Display
- command
- Tcl Text Commands
| scale
- startup files
- Hot Keys
| VMD Command-Line Options
| Startup Files
| .vmdrc and vmd.rc Files
- stereo
- mode
- Stereoscopic Modes
- checkerboard
- Checkerboard Stereo
- column interleaved
- Column Interleaved Stereo
- cross-eyed
- Side-By-Side and Cross-Eyed Stereo
- CrystalEyes
- Quad-buffered Stereo
- HDTV side-by-side
- HDTV Side-by-side Stereo
- quad buffered
- Quad-buffered Stereo
- row interleaved
- Row Interleaved Stereo
- scanline interleaved
- Row Interleaved Stereo
| Anaglyph Stereo
- side-by-side
- Side-By-Side and Cross-Eyed Stereo
- off
- Monoscopic Modes
- parameters
- Display Menu and Display
| Stereo Parameters
| display
| display
- STL files
- Higher Quality Rendering
- stop rotation
- Display Menu and Display
- stride
- Copyright and Disclaimer Notices
- surf
- Copyright and Disclaimer Notices
- surface
- molecular
- Solvent
- solvent accessible
- Solvent
- Tachyon
- Copyright and Disclaimer Notices
- TachyonInternal
- Making Stereo Images
- Tcl
- Tcl/Tk
- tcl commands
- Tcl Text Commands
- text
- displayed
- graphics
- Tk
- Tcl/Tk
- tool
- CAVE
- Configuring input devices
- command
- Tcl Text Commands
| stage
- FreeVR
- Configuring input devices
- Spaceball
- Configuring input devices
- VRPN
- Configuring input devices
- window
- Tool Window
- tools
- Using Tools
- topology files
- Loading A Molecule
- trajectory
- draw multiple frames
- Draw Multiple Frames.
| mol
- files
- Loading A Molecule
- read
- Reading Trajectory Frames
- smoothing
- Trajectory Smoothing.
| mol
| molrep
- write
- Saving Trajectory Frames
- trans
- Python module
- trans
- translate
- command
- Tcl Text Commands
| tool
- translation
- change atom coordinates
- Using the atomselect command
- using mouse
- Mouse Modes
- transparency
- Draw Style Tab
- unit cell information
- Periodic Tab
- universal sensor locator
- Configuring input devices
- user
- command
- Tcl Text Commands
| translate
- user interfaces
- python
- Python Text Interface
- text
- Tcl Text Interface
- USL
- Configuring input devices
- variables
- env
- Environment Variables
| Core Script Files
- M_PI
- Misc. functions and values
- trace
- Tcl callbacks
- vector command
- coordtrans
- Multiplying vectors and matrices
- vecadd
- Vectors
| Vectors
- veccross
- Vectors
- vecdist
- Vectors
- vecdot
- Vectors
- vecinvert
- Vectors
- veclength
- Vectors
- veclength2
- Vectors
- vecmean
- Vectors
- vecnorm
- Vectors
- vecscale
- Vectors
- vecstddev
- Vectors
- vecsub
- Vectors
- vecsum
- Vectors
- vectrans
- Multiplying vectors and matrices
- veczero
- Vectors
- vector routines
- Vectors and Matrices
- view
- mol
- viewing modes
- changing
- Viewing Modes
- VMD
- as MIME helper application
- MIME types
- command line options
- VMD Command-Line Options
- compile options
- vmdinfo
- copyright
- Copyright and Disclaimer Notices
- customizing
- Hot Keys
| Customizing VMD Sessions
- vmdinfo
- command
- Tcl Text Commands
| user
- volmap
- command
- Tcl Text Commands
| volmap
- volumetric data
- VolumeSlice
| Isosurface
- generating
- volmap
- VRML files
- Higher Quality Rendering
- wait
- command
- Tcl Text Commands
| Implicit Ligand Sampling (volmap
- window
- animate
- A Quick Animation
- color
- Comparing Two Structures
| Color Window
| Coloring Methods
| Color categories
| Coloring by color categories
- display
- Display Menu and Display
- files
- Viewing a molecule: Myoglobin
- graphics
- Viewing a molecule: Myoglobin
| An Introduction to Atom
| Graphics Window
- hot keys
- Hot Keys
- IMD simulation
- IMD Connect Simulation Window
- label
- Labels Window
- main
- Main Window
| GUI Shortcuts
- material
- Material Window
- molecule file browser
- Molecule File Browser Window
- mouse menu
- Mouse Menu
- RamaPlot
- RamaPlot
- render
- Rendering an Image
| Render Window
- sequence
- Sequence Window
- tool
- Tool Window
- windows
- menu
- X3D files
- Higher Quality Rendering
- XPLOR
- files
- Loading A Molecule
| Reading Trajectory Frames
vmd@ks.uiuc.edu