Common

Basic functions.

r3dmol()

Initialise a WebGL-based viewer

m_render()

Render current state of viewer

m_png()

Convert widgets to PNG image

m_grid()

Create a grid of viewers that share a WebGL canvas

m_glimpse()

Quickly View Given Structure

m_clear()

Clear scene of all objects

m_enable_fog()

Enable/disable fog for content far from the camera

m_shiny_demo()

Run examples of using r3dmol in a Shiny app

r3dmolOutput() renderR3dmol()

Shiny bindings for r3dmol

Add / Set / Remove

Functions for adding, setting and removing elements to the view.

m_add_model() m_add_models()

Create and add model to viewer

m_add_box() m_add_curve()

Create and add shape

m_add_arrow()

Add arrow shape

m_add_as_one_molecule()

Create and add model to viewer

m_add_custom()

Add custom shape component from user supplied function

m_add_cylinder()

Add Cylinder Between Points

m_add_isosurface()

Construct isosurface from volumetric data in gaussian cube format

m_add_label()

Add label to viewer

m_add_line()

Add Lines Between Points

m_add_models_as_frames()

Create and add model to viewer

m_add_outline()

Add colored outline to all objects in scene.

m_add_property_labels()

Add property labels

m_add_res_labels()

Add Residue Labels

m_add_shape()

Add shape object to viewer

m_add_sphere()

Add Sphere Shape

m_add_style()

Add Style to Selection

m_add_surface()

Add surface representation to atoms

m_add_unit_cell() m_replicate_unit_cell() m_remove_unit_cell()

Unit cell visualization

m_set_color_by_element()

Set color by element

m_set_default_cartoon_quality()

Set the default cartoon quality for newly created models

m_set_hover_duration()

Set the duration of the hover delay

m_set_preceived_distance()

Set the distance between the model and the camera

m_set_projection()

Set view projection scheme

m_set_slab()

Set slab of view

m_set_style()

Overwrite Previous Style

m_set_view()

Sets the view to the specified translation, zoom, rotation and style

m_set_width() m_set_height() m_set_background_color()

Set viewer properties

m_set_zoom_limits()

Set lower and upper limit stops for zoom

m_remove_all_labels()

Remove all labels from viewer

m_remove_all_models()

Delete all existing models

m_remove_all_shapes()

Remove all shape objects from viewer

m_remove_all_surfaces()

Remove all labels from viewer

m_remove_label()

Remove label from viewer

Style / Selections / Specifications

Functions for setting the style of models, and doing selections.

m_style_ballnstick()

Specifying Style for Ball and Stick

m_style_cartoon()

Specify Styling for Cartoon

m_style_label()

Specify Styling for Labels

m_style_line()

Specify Styling for Lines

m_style_sphere()

Specify Styling for Sphere

m_style_stick()

Specify Styling for Stick

m_style_surface()

Specify Styling for Surface

m_sel()

Selection Function for r3dmol

m_multi_resi_sel()

Selection Across Multiple Residues

m_shape_spec()

Specify Styling for Generic Shapes

m_viewer_spec()

Specifying setup options for viewer

Importing Models

Importing models from {bio3d} and fetching from pdb.

m_fetch_pdb()

Fetch Structure from PDB

m_bio3d()

Load structure from package bio3d

Animate

Functions for creating animation.

m_animate()

Animate all models in viewer from their respective frames

m_vibrate()

Add model's vibration

m_center()

Re-center the viewer around the provided selection

m_rotate()

Rotate scene by angle degrees around axis

m_spin()

Continuously rotate a scene around the specified axis

m_stop_animate()

Stop animation of all models in viewer

m_translate() m_translate_scene()

Translate current view or models by x,y screen coordinates

m_zoom()

Zoom current view by a constant factor

m_zoom_to()

Zoom to center of atom selection

Button

Functions for adding buttons to interact with visualizations.

m_button_add_res_labels()

Add a button for adding residue labels

m_button_add_style()

Add button for Adding a Style

m_button_add_surface()

Add a button for adding a surface

m_button_animate()

Add a button for starting and stopping animations

m_button_manual()

Add button into viewer

m_button_set_style()

Add a button for overwriting a style

m_button_spin()

Add a button for spinning the scene

m_button_zoom_to()

Add a button for zooming to a selection

Class Constructor

Convenience functions for constructing class for r3dmol.

m_vector3()

Create a 3 dimensional vector

Dataset

Datasets provide by package for demo.

pdb_1j72

Crystal Structure of Mutant Macrophage Capping Protein (Cap G) with Actin-severing Activity in the Ca2+-Free Form in PDB format

pdb_6zsl

Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution in PDB format

sdf_multiple

Multiple sdf file example

cif_254385

Cif file example

xyz_multiple

Multiple xyz file example

cube_benzene_homo

Gaussian cube file example