View source: R/generate_full_scene.R
generate_full_scene | R Documentation |
Reads an SDF file and extracts the 3D molecule model
generate_full_scene( model, x = 0, y = 0, z = 0, scale = 1, center = TRUE, pathtrace = TRUE, force_single_bonds = FALSE, material = rayrender::glossy, material_vertex = material_list(type = "phong") )
model |
Model extracted from a PDB or SDF file. |
x |
Default '0'. X offset, applied after centering. |
y |
Default '0'. Y offset, applied after centering. |
z |
Default '0'. Z offset, applied after centering. |
scale |
Default '1'. Amount to scale the interatom spacing. |
center |
Default 'TRUE'. Centers the bounding box of the model. |
pathtrace |
Default 'TRUE'. If 'FALSE', the 'rayvertex' package will be used to render the scene. |
force_single_bonds |
Default 'FALSE'. Whether to force all bonds to show as a single connection. |
material |
Default 'rayrender::glossy'. Rayrender material to use when 'pathtrace = TRUE'. Must be either 'glossy', 'diffuse', or 'dielectric'. |
material_vertex |
Default 'rayvertex::material_list()'. Material to use when 'pathtrace = FALSE'. 'diffuse'/'ambient' colors and 'ambient_intensity' are determined automatically, but all other material properties can be changed. |
Rayrender/rayvertex scene
# Generate a scene with caffeine molecule get_example_molecule("caffeine") %>% read_sdf() %>% generate_full_scene() %>% render_model(samples=256,sample_method="sobol_blue") #Generate a rayvertex scene with a custom material get_example_molecule("caffeine") %>% read_sdf() %>% generate_full_scene(pathtrace=FALSE, material_vertex=rayvertex::material_list(type="phong")) %>% render_model(background="grey33") #Generate a rayvertex scene, using toon shading shiny_toon_material = rayvertex::material_list(type="toon_phong", toon_levels=3, toon_outline_width=0.1) get_example_molecule("caffeine") %>% read_sdf() %>% generate_full_scene(pathtrace=FALSE, material_vertex=shiny_toon_material) %>% render_model(background="grey66") # Generate a scene with morphine, increasing the inter-atom spacing get_example_molecule("tubocurarine_chloride") %>% read_sdf() %>% generate_full_scene(scale=1.5) %>% render_model(samples=256,sample_method="sobol_blue") # Force bonds to appear as a single link (to focus purely on the shape of the molecule) get_example_molecule("tubocurarine_chloride") %>% read_sdf() %>% generate_full_scene(force_single_bonds = TRUE) %>% render_model(samples=256,sample_method="sobol_blue")
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