r3dmol (version 0.1.0)

m_add_isosurface: Construct isosurface from volumetric data in gaussian cube format

Description

Construct isosurface from volumetric data in gaussian cube format

Usage

m_add_isosurface(id, data, isoSpec)

Arguments

id

R3dmol id or a r3dmol object (the output from r3dmol())

data

Path of input data path or a vector of data.

isoSpec

Volumetric data shape specification

Value

R3dmol id or a r3dmol object (the output from r3dmol())

Examples

# NOT RUN {
library(r3dmol)

r3dmol() %>%
  m_add_isosurface(
    data = cube_benzene_homo,
    isoSpec = list(
      isoval = -0.01,
      color = "red",
      opacity = 0.95
    )
  ) %>%
  m_set_style(
    sel = list(cartoon = list()),
    style = list(stick = list())
  ) %>%
  m_zoom_to()
# }