# Fetch a remote molecular file (pdb or mmcif zipped)
# forceStructureType (-1 = auto-detect / 0 = standard / 1 = CG / 2 = OPEP / 3 = HIRERNA)
UnityMolStructure fetch(string PDBId, bool usemmCIF = True, bool readHetm = True, bool forceDSSP = False, bool showDefaultRep = True, bool center = True, bool modelsAsTraj = True, int forceStructureType = -1, bool bioAssembly = False)
# Load a local molecular file (pdb/mmcif/gro/mol2/sdf/xyz formats)
# forceStructureType (-1 = auto-detect / 0 = standard / 1 = CG / 2 = OPEP / 3 = HIRERNA)
UnityMolStructure load(string filePath, bool readHetm = True, bool forceDSSP = False, bool showDefaultRep = True, bool center = True, bool modelsAsTraj = True, int forceStructureType = -1)
# Show/Hide UnityMol console
showHideConsole(bool show)
# Allow to call python API commands and record them in the history from C#
bool ExecuteCommand(string command, bool force = False)
# Load a molecular file (pdb/mmcif/gro/mol2/sdf/xyz formats) from a string
# forceStructureType (-1 = auto-detect / 0 = standard / 1 = CG / 2 = OPEP / 3 = HIRERNA)
UnityMolStructure loadFromString(string fileName, string fileContent, bool readHetm = True, bool forceDSSP = False, bool showDefaultRep = True, bool center = True, bool modelsAsTraj = True, int forceStructureType = -1)
# WIP Load martini itp file to parse elastic network and secondary structure
loadMartiniITP(string structureName, string filePath)
# Show bounding box lines around the structure
showBoundingBox(string structureName)
# Hide bounding box lines around the structure
hideBoundingBox(string structureName)
# Set bounding box lines size
setBoundingBoxLineSize(string structureName, float size = 0.005f)
# Load a XML file containing covalent and noncovalent bonds
# modelId = -1 means currentModel
# Possible bond types are: 'covalent' or 'db_geom', 'hbond' or 'h-bond' or 'hbond_weak', 'halogen', 'ionic', 'aromatic', 'hydrophobic', 'carbonyl'
loadBondsXML(string structureName, string filePath, int modelId = -1)
# Override the current bonds of the model modelId and saves the previous one in model.savedBonds
# modelId = -1 means currentModel
overrideBondsWithXML(string structureName, int modelId = -1)
# Load bounding information from a PSF file
# modelId = -1 means currentModel
loadPSFTopology(string structureName, string psfPath, int modelId = -1)
# Load bounding information from a TOP file
# modelId = -1 means currentModel
# specialBondString when not empty is used to create a selection containing only these special bonds, shown as hbondtube
loadTOPTopology(string structureName, string topPath, int modelId = -1, string specialBondString = "restrain")
# Restore bonds using the model.savedBonds
# modelId = -1 means currentModel
restoreBonds(string structureName, int modelId = -1)
# Removes the covBondOrders bonds loaded by loadBondsXML from the model
unloadCustomBonds(string structureName, int modelId)
# Delete all the loaded molecules
reset()
# Switch between parsed secondary structure information and DSSP computation
switchSSAssignmentMethod(string structureName, bool forceDSSP = False)
# Show/Hide hydrogens in representations of the provided selection
# This only works for lines, hyperball and sphere representations
showHideHydrogensInSelection(string selName, bool? shouldShow = null)
# Show/Hide side chains in representations of the current selection
# This only works for lines, hyperball and sphere representations only
showHideSideChainsInSelection(string selName)
# Show/Hide backbone in representations of the current selection
# This only works for lines, hyperball and sphere representations only
showHideBackboneInSelection(string selName)
# Set the current model of the structure
# This function is used by ModelPlayers.cs to read the models of a structure like a trajectory
setModel(string structureName, int modelId)
# Load a trajectory for a loaded structure
# It creates a XDRFileReader in the corresponding UnityMolStructure and a TrajectoryPlayer
loadTraj(string structureName, string filePath)
# Unload a trajectory for a specific structure
unloadTraj(string structureName)
# Create a special selection containing frames from the trajectory
string pickTrajectoryFrames(string structureName, string selectionQuery = "all", int frameStart = 0, int frameEnd = 1, int step = 1)
# Set the current trajectory frame of the structure named structureName to frame
# frame has to be between 0 and numberFrames
setTrajFrame(string structureName, int frame)
# Load a density map for a specific structure
# This function creates a DXReader instance in the UnityMolStructure
loadDXmap(string structureName, string filePath)
# Show lines around dx map
showDXLines(string structureName)
# Hide lines around dx map
hideDXLines(string structureName)
# Unload the density map for the structure
unloadDXmap(string structureName)
# Read a json file and display fieldLines for the specified structure
readJSONFieldlines(string structureName, string filePath)
# Remove the json file for fieldlines stored in the currentModel of the specified structure
unloadJSONFieldlines(string structureName)
# Change fieldline computation gradient threshold
setFieldlineGradientThreshold(string selName, float val)
# Utility function to be able to get the group of the structure
# This group is used to be able to move all the loaded molecules in the same group
# Groups can be between 0 and 9 included
int getStructureGroup(string structureName)
# Utility function to be able to get the structures of the group
# This group is used to be able to move all the loaded molecules in the same group
# Groups can be between 0 and 9 included
HashSet<UnityMolStructure> getStructuresOfGroup(int group)
# Utility function to be set the group of a structure
# This group is used to be able to move all the loaded molecules in the same group
# Groups can be between 0 and 9 included
setStructureGroup(string structureName, int newGroup)
# Delete a molecule and all its UnityMolSelection and UnityMolRepresentation
delete(string structureName)
# Show as 'type' all loaded molecules
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
show(string type)
# Show all loaded molecules only as the 'type' representation
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
showAs(string type)
# Restore all representations of a structure to the default representations
resetRep(string structureName)
# Create selections and default representations: all in cartoon, not protein in hyperballs
# Also create a selection containing "not protein and not water and not ligand and not ions"
bool defaultRep(string selName)
# Create default representations (cartoon for protein + HB for not protein atoms)
showDefault(string selName)
# Unhide all representations already created for a specified structure
showStructureAllRepresentations(string structureName)
# Show the selection as 'type'
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
# If the representation is already there, update it if the selection content changed and show it
# Surface example: showSelection("all_1kx2", "s", True, True, True, SurfMethod.MSMS) # arguments are cutByChain, AO, cutSurface, computeSurfaceMethod
# Iso-surface example: showSelection("all_1kx2", "dxiso", last().dxr, 0.0f)
showSelection(string selName, string type, params object[] args) # Show all representations of the selection named 'selName'
showSelection(string selName)
# Hide every representations of the specified selection
hideSelection(string selName)
# Hide every representation of type 'type' of the specified selection
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
hideSelection(string selName, string type)
# Delete every representations of type 'type' of the specified selection
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
deleteRepresentationInSelection(string selName, string type)
# Delete every representations of the specified selection
deleteRepresentationsInSelection(string selName)
# Hide every representations of the specified structure
hideStructureAllRepresentations(string structureName)
# Delete all the selection of the given structure
deleteAllSelectionsStructure(string structureName)
# Utility function to test if a representation is shown for a specified structure
bool areRepresentationsOn(string structureName)
# Utility function to test if a representation of type 'type' is shown for a specified selection
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
bool areRepresentationsOn(string selName, string type)
# Hide all representations of type 'type'
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
hide(string type)
# Switch between the 2 types of surface computation methods: EDTSurf and MSMS
switchSurfaceComputeMethod(string selName)
# Switch between cut surface mode and no-cut surface mode
switchCutSurface(string selName, bool isCut)
# Switch all surface representation in selection to a solid surface material
setSolidSurface(string selName)
# Switch all surface representation in selection to a wireframe surface material when available
setWireframeSurface(string selName)
# Switch all surface representation in selection to a transparent surface material
setTransparentSurface(string selName, float? alpha = null)
# Switch cartoon material from transparent to normal/solid
setSolidCartoon(string selName)
# Switch cartoon material from normal/solid to transparent
setTransparentCartoon(string selName, float alpha = 0.3f)
# Switch sphere material from transparent to normal/solid
setSolidSphere(string selName)
setTransparentSphere(string selName, float alpha = 0.3f)
# Recompute cartoon representation with new tube size
setTubeSizeCartoon(string selName, float newVal)
# Draw cartoon representation as tube
drawCartoonAsTube(string selName, bool drawAsTube = True)
# Draw cartoon representation as tube with Bfactor as tube size
drawCartoonAsBfactorTube(string selName, bool drawAsBTube = True)
# Recompute the DX surface with a new iso value
updateDXIso(string selName, float newVal)
# Change hyperball representation parameters in the specified selection to a preset
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
setSmoothness(string selName, string type, float val)
# Change hyperball representation parameters in the specified selection to a preset
# Metaphores can be "Smooth", "Balls&Sticks", "VdW", "Licorice", "Hidden"
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
setMetal(string selName, string type, float val)
# Change surface wireframe size
setSurfaceWireframe(string selName, string type, float val)
# Only show a part of the representation inside a sphere, only works with surface types for now
enableLimitedView(string selName, string type)
# Disable the limited view
disableLimitedView(string selName, string type)
# Get if the limited view is activated
bool getLimitedView(string selName, string type)
# Set the center of the limited view in local space
setLimitedViewCenter(string selName, string type, Vector3 center)
# Retrieve the current center of the limited view
Vector3 getLimitedViewCenter(string selName, string type)
# Set the radius (in Angstrom) of the limited view (surface or cartoon type)
setLimitedViewRadius(string selName, string type, float radius)
# Change hyperball representation parameters in all selections that contains a hb representation
# Metaphores can be "Smooth", "Balls&Sticks", "VdW", "Licorice", "Hidden"
setHyperBallMetaphore(string metaphore, bool forceAOOff = True, bool lerp = False, float duration = 0.5f)
# Change hyperball representation parameters in the specified selection to a preset
# Metaphores can be "Smooth", "Balls&Sticks", "VdW", "Licorice", "Hidden"
setHyperBallMetaphore(string selName, string metaphore, bool forceAOOff = True, bool lerp = False, float duration = 0.5f)
# Set shininess for the hyperball representations of the specified selection
setHyperBallShininess(string selName, float shin)
# Set the shrink factor for the hyperball representations of the specified selection
setHyperballShrink(string selName, float shrink)
# Change all hyperball representation in the selection with a new texture mapped
# idTex of the texture is the index in UnityMolMain.atomColors.textures
setHyperballTexture(string selName, int idTex)
# Change all bond order representation in the selection with a new texture mapped
# idTex of the texture is the index in UnityMolMain.atomColors.textures
setBondOrderTexture(string selName, int idTex)
# Remove AO from hyperballs
clearHyperballAO(string selName)
# Compute object space AO for surface
computeSurfaceAO(string selName, string type)
# Remove AO for surface
clearSurfaceAO(string selName, string type)
# Get statut of AO surface
bool isSurfaceAOOn(string selName, string type)
# Set ambient light intensity
setAmbientLightIntensity(float i)
# Set light intensity of all directional lights found in the scene
setDirLightIntensity(float v)
# Set light shadow strength of all directional lights found in the scene
# 0 is no shadow at all, 1 is full black shadow
setDirLightShadow(float v)
# Set light direction in X of all directional lights found in the scene
setDirLightDirection(Vector3 eulers)
# Set light color of all directional lights found in the scene
setDirLightColor(Color c)
# Set the color of the cartoon representation of the specified selection based on the nature of secondary structure assigned
# ssType can be "helix", "sheet" or "coil"
setCartoonColorSS(string selName, string ssType, Color col)
# Change the size of the representation of type 'type' in the selection
# Mainly used for hyperball representation
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
setRepSize(string selName, string type, float size)
# Change the color of all representation of type 'type' in selection
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorSelection(string selName, string type, Color col)
# Change the color of all representation of type 'type' in selection
# colorS can be "black", "white", "yellow", "green", "red", "blue", "pink", "gray"
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorSelection(string selName, string type, string colorS)
# Change the color of all representation of type 'type' in selection
# colors is a list of colors the length of the selection named selName
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorSelection(string selName, string type, List<Color> colors)
# Change the color of all representation in selection
colorSelection(string selName, Color col)
# Using a selection query, change the color of all representations in selection if type is not specified or all representations of type "type" in selection
# Only atoms of the result of the selection query will be colored
colorSelection(string selName, Color col, string selQuery, string type = "")
# Reset the color of all representation of type 'type' in selection to the default value
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
resetColorSelection(string selName, string type)
# In the representation of type repType, color all atoms of type atomType in the selection selName with
colorAtomType(string selName, string repType, string atomType, Color col)
# Use the color palette to color representations of type 'type' in the selection 'selName' by chain
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorByChain(string selName, string type)
# Use the color palette to color representations of type 'type' in the selection 'selName' by residue
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorByResidue(string selName, string type)
# Color representations of type 'type' in the selection 'selName' by atom
colorByAtom(string selName, string type)
# Color representations of type 'type' in the selection 'selName' by hydrophobicity
colorByHydrophobicity(string selName, string type)
# Use the color palette to color representations of type 'type' in the selection 'selName' by residue id
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorByResid(string selName, string type)
# Use the color palette to color representations of type 'type' in the selection 'selName' by residue resnum
# type can be "cartoon", "c", "surface", "s", "hb", "line", "l", "hbond"
colorByResnum(string selName, string type)
# Color representations of type 'type' in the selection 'selName' by sequence (rainbow effect)
colorBySequence(string selName, string type)
# Use the dx map to color by charge around atoms
# Only works for surface for now
# If normalizeDensity is set to true, the density values will be normalized
# if it is set to true, the default -10|10 range is used
colorByCharge(string selName, bool normalizeDensity = False, float minDens = -10.0f, float maxDens = 10.0f)
# Color residues by "restype": negatively charge = red, positively charged = blue, nonpolar = light yellow,
# polar = green, cys = orange
colorByResidueType(string selName, string type)
# Color residues by "restype": negatively charge = red, positively charged = blue, neutral = white
colorByResidueCharge(string selName, string type)
# Color residues by Bfactor
colorByBfactor(string selName, string type, Color startColor, Color midColor, Color endColor)
# Color residues by Bfactor: low to high = blue to red
colorByBfactor(string selName, string type)
# Set size of the line representation
setLineSize(string selName, float val)
# Set size of the trace representation
setTraceSize(string selName, float val)
# Change sheherasade computation method
switchSheherasadeMethod(string selName)
# Set sheherasade texture
setSheherasadeTexture(string selName, int idTex)
# Offsets all representations to center the structure 'structureName'
# Instead of moving the camera, move the loaded molecules to center them on the center of the camera
centerOnStructure(string structureName, bool lerp = False, bool recordCommand = True)
# Get the current ManipulationManager, creates one if there is none
ManipulationManager getManipulationManager()
# Offsets all representations to center the selection 'selName'
# If lerp is true and duration is > 0, centering is done during 'duration' seconds
centerOnSelection(string selName, bool lerp = False, float distance = -1.0f, float duration = 0.25f)
# CEAlign algorithm to align two proteins with "little to no sequence similarity", only uses Calpha atoms
# For more details: https://pymolwiki.org/index.php/Cealign
cealign(string selNameTarget, string selNameMobile)
# Create a UnityMolSelection based on MDAnalysis selection language (https://www.mdanalysis.org/docs/documentation_pages/selections.html)
# Returns a UnityMolSelection object, adding it to the selection manager if createSelection is true
# If a selection with the same name already exists and addToExisting is true, add atoms to the already existing selection
# Set forceCreate to true if the selection is empty but still need to generate the selection
UnityMolSelection select(string selMDA, string name = "selection", bool createSelection = True, bool addToExisting = False, bool silent = False, bool setAsCurrentSelection = True, bool forceCreate = False, bool allModels = False, bool addToSelectionKeyword = True)
# Add a keyword to the selection language
addSelectionKeyword(string keyword, string selName)
# Remove a keyword from the selection language
removeSelectionKeyword(string keyword, string selName)
# Set the selection as currentSelection in the UnityMolSelectionManager
setCurrentSelection(string selName)
# Look for an existing selection named 'name' and add atoms to it based on MDAnalysis selection language
addToSelection(string selMDA, string name = "selection", bool silent = False, bool allModels = False)
# Look for an existing selection named 'name' and remove atoms from it based on MDAnalysis selection language
removeFromSelection(string selMDA, string name = "selection", bool silent = False, bool allModels = False)
# Delete selection 'selName' and all its representations
deleteSelection(string selName)
# Duplicate selection 'selName' and without the representations
string duplicateSelection(string selName)
# Change the 'oldSelName' selection name into 'newSelName'
bool renameSelection(string oldSelName, string newSelName)
# Update the atoms of the selection based on a new MDAnalysis language selection
# The selection only applies to the structures of the selection
bool updateSelectionWithMDA(string selName, string selectionString, bool forceAlteration, bool silent = False, bool recordCommand = True, bool allModels = False)
# Directly clear the highlight manager, this does not unselect the current selection
cleanHighlight()
# Select atoms of all loaded molecules inside a sphere defined by a molecular space position and a radius in Anstrom
UnityMolSelection selectInSphere(Vector3 position, float radius)
# Select atoms of all loaded molecules inside a rectangle defined by a molecular space position and 3 axis
UnityMolSelection selectInRectangle(Vector3 lowerLeft, Vector3 xaxis, Vector3 yaxis, Vector3 zaxis)
# Update representations of the specified selection, called automatically after a selection content change
updateRepresentations(string selName)
# Clear the currentSelection in UnityMolSelectionManager
clearSelections()
# Utility function to test if a trajectory is playing for any loaded molecule
bool isATrajectoryPlaying()
# Set the updateContentWithTraj of the selection to enable/disable selection content update
setUpdateSelectionTraj(string selName, bool v)
# Show or hide representation shadows
setShadows(string selName, string type, bool enable)
# Utility function to change the material of highlighted selection
changeHighlightMaterial(Material newMat)
# Take a screenshot of the current viewpoint with a specific resolution
screenshot(string path, int resolutionWidth = 1280, int resolutionHeight = 720, bool transparentBG = False)
# Start to record a video with FFMPEG at a specific resolution and framerate
startVideo(string filePath, int resolutionWidth = 1280, int resolutionHeight = 720, int frameRate = 30)
# Stop recording
stopVideo()
# Pause recording
pauseVideo()
# Unpause recording
unpauseVideo()
# Play the opposite function of the lastly called APIPython function recorded in UnityMolMain.pythonUndoCommands
undo()
# Set the local position and rotation (euler angles) of the given structure
setStructurePositionRotation(string structureName, Vector3 pos, Vector3 rot)
# Get the current position and rotation of the given structure
getStructurePositionRotation(string structureName, ref Vector3 pos, ref Vector3 rot)
# Get the current position and rotation of the given structure
string getStructurePositionRotation(string structureName)
# Save the history of commands executed in a file
saveScript(string fullpath)
# Save the history of commands executed in a file
saveHistoryScript(string fullpath)
# Save the current positions of the loaded structures in a single PDB file
saveDockingState(string fullpath = null)
string loadedMolParentToString(bool addToHistory = False)
# Load a python script of commands (possibly the output of the saveHistoryScript function)
loadHistoryScript(string filePath)
# Load a python script of commands (possibly the output of the saveHistoryScript function)
loadScript(string filePath)
# Set the position, scale and rotation of the parent of all loaded molecules
# Linear interpolation between the current state of the camera to the specified values
setMolParentTransform(Vector3 pos, Vector3 scale, Vector3 rot, Vector3 centerOfRotation, bool lerp = True, float duration = 1.0f)
string getMolParentTransform()
# Change the scale of the parent of the representations of each molecules
# Try to not move the center of mass
changeGeneralScale_cog(float newVal)
# Change the scale of the parent of the representations of each molecules
# Keep relative positions of molecules, use the first loaded molecule center of gravity to compensate the translation due to scaling
changeGeneralScale(float newVal)
# Use Reduce method to add hydrogens
addHydrogensReduce(string structureName)
# Use HAAD method to add hydrogens
addHydrogensHaad(string structureName)
# Set the atoms of the selection named 'selName' to ligand
setAsLigand(string selName, bool isLig = True, bool updateAllSelections = True)
# Merge UnityMolStructure structureName2 in structureName using a different chain name to avoid conflict
mergeStructure(string structureName, string structureName2, string chainName = "Z")
# Save current atom positions of the selection to a PDB file
# World atom positions are transformed to be relative to the first structure in the selection
saveToPDB(string selName, string fullPath, bool writeSSinfo = False)
# Connect to a running simulation using the IMD protocol implemented in MDDriver
# The running simulation is binded to a UnityMolStructure
bool connectIMD(string structureName, string adress, int port)
# Disconnect from the IMD simulation for the specified structure
disconnectIMD(string structureName)
# Get current surface material
string getSurfaceType(string selName)
# Get current hyperball metaphore
string getHyperBallMetaphore(string selName)
setCameraOrtho(bool ortho)
setCameraOrthoSize(float orthoSize)
# Set camera near plane, note this has an impact on shadow map quality
setCameraNearPlane(float newV)
# Set camera far plane, note this has an impact on shadow map quality
setCameraFarPlane(float newV)
# Enable depth cueing effect
enableDepthCueing()
# Disable depth cueing effect
disableDepthCueing()
# Set depth cueing starting position in world space
setDepthCueingStart(float v)
# Set depth cueing density
setDepthCueingDensity(float v)
# Set depth cueing color
setDepthCueingColor(Color col)
# Enable DOF effect, only available in desktop mode
enableDOF()
# Disable DOF effect, only available in desktop mode
disableDOF()
# Set DOF focus distance, this is used by the MouseAutoFocus script
setDOFFocusDistance(float v)
# Set DOF aperture
setDOFAperture(float a)
# Set DOF focal length
setDOFFocalLength(float f)
# Enable outline post-process effect
enableOutline()
# Disable outline effect
disableOutline()
# Set outline effect thickness
setOutlineThickness(float v)
# Set outline effect color
setOutlineColor(Color col)
# Print the content of the current directory, outputs only the files
List<string> ls()
# Change the current directory
cd(string newPath)
# Print the current directory
pwd()
# Return the lastly loaded UnityMolStructure
UnityMolStructure last()
# Change the background color of the camera based on a color name, also changes the fog color
bg_color(string colorS)
# Change the background color of the camera, also changes the fog color
bg_color(Color col)
# Convert a color string to a standard Unity Color
# Values can be "black", "white", "yellow" ,"green", "red", "blue", "pink", "gray"
# Switch on or off the rotation around the X axis of all loaded molecules
switchRotateAxisX()
# Switch on or off the rotation around the Y axis of all loaded molecules
switchRotateAxisY()
# Switch on or off the rotation around the Z axis of all loaded molecules
switchRotateAxisZ()
# Change the rotation speed around the X axis
changeRotationSpeedX(float val)
# Change the rotation speed around the Y axis
changeRotationSpeedY(float val)
# Change the rotation speed around the Z axis
changeRotationSpeedZ(float val)
# Change the mouse scroll speed
setMouseScrollSpeed(float val)
# Change the speed of mouse rotations and translations
setMouseMoveSpeed(float val)
# Stop rotation around all axis
stopRotations()
# Turn docking mode on and off
switchDockingMode()
# Transform a string of representation type to a RepType object
RepType getRepType(string type)
# Transform a representation type into a string
string getTypeFromRepType(RepType rept)
string cBoolToPy(bool val)
string cVec3ToPy(Vector3 val)
activateExternalCommands()
disableExternalCommands()
string getSelectionListString()
string getStructureListString()
addSelectionToTour(string selName)
removeSelectionFromTour(string selName)
# Measure modes : 0 = distance, 1 = angle, 2 = torsion angle
setMeasureMode(int newMode)
annotateAtom(string structureName, int atomId)
removeAnnotationAtom(string structureName, int atomId)
annotateSphere(Vector3 worldP, float scale = 1.0f)
removeAnnotationSphere(Vector3 worldP, float scale = 1.0f)
annotateAtomText(string structureName, int atomId, string text, Color textCol, bool showLine = False)
removeAnnotationAtomText(string structureName, int atomId, string text)
annotateWorldText(Vector3 worldP, float scale, string text, Color textCol)
removeAnnotationWorldText(Vector3 worldP, float scale, string text, Color textCol)
#Add a 2D text over everything
#The position is set as 0/0 = bottom/left and 1/1 is top/right of the screen
annotate2DText(Vector2 screenP, float scale, string text, Color textCol)
removeAnnotation2DText(Vector2 screenP, float scale, string text, Color textCol)
annotateLine(string structureName, int atomId, string structureName2, int atomId2)
removeAnnotationLine(string structureName, int atomId, string structureName2, int atomId2)
annotateWorldLine(Vector3 p1, Vector3 p2, float sizeLine, Color lineCol)
removeWorldAnnotationLine(Vector3 p1, Vector3 p2, float sizeLine, Color lineCol)
annotateDistance(string structureName, int atomId, string structureName2, int atomId2)
removeAnnotationDistance(string structureName, int atomId, string structureName2, int atomId2)
annotateAngle(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3)
removeAnnotationAngle(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3)
annotateDihedralAngle(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3, string structureName4, int atomId4)
removeAnnotationDihedralAngle(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3, string structureName4, int atomId4)
annotateRotatingArrow(string structureName, int atomId, string structureName2, int atomId2)
removeAnnotationRotatingArrow(string structureName, int atomId, string structureName2, int atomId2)
annotateArcLine(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3)
removeAnnotationArcLine(string structureName, int atomId, string structureName2, int atomId2, string structureName3, int atomId3)
annotateDrawLine(string structureName, List<Vector3> line, Color col)
removeLastDrawLine(string structureName, int id)
# Play a sonar sound at a world position
playSoundAtPosition(Vector3 wpos)
# Remove all drawing annotations
clearDrawings()
# Remove all annotations + Drawings
clearAnnotations()
# Export the given structure to an OBJ file containing several models
# BondOrder/Point/Hbonds are ignored
exportRepsToOBJFile(string structureName, string fullPath, bool withAO = True)
# Export the given structure to an FBX file containing several models, (Windows or Mac)
# BondOrder/Point/Hbonds are ignored
exportRepsToFBXFile(string structureName, string fullPath, bool withAO = True)
