r3dmol (version 0.1.2)

m_vibrate: Add model's vibration

Description

If atoms have dx, dy, dz properties (in some xyz files), vibrate populates each model's frame property based on parameters. Models can then be animated.

Usage

m_vibrate(id, numFrames, amplitude, bothWays, arrowSpec)

Arguments

id

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

numFrames

Number of frames to be created, default to 10

amplitude

Amplitude of distortion, default to 1 (full)

bothWays

If true, extend both in positive and negative directions by numFrames

arrowSpec

Specification for drawing animated arrows. If color isn't specified, atom color (sphere, stick, line preference) is used.

Value

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

Examples

# NOT RUN {
library(r3dmol)

xyz <- "4
* (null), Energy   -1000.0000000
N     0.000005    0.019779   -0.000003   -0.157114    0.000052   -0.012746
H     0.931955   -0.364989    0.000003    1.507100   -0.601158   -0.004108
H    -0.465975   -0.364992    0.807088    0.283368    0.257996   -0.583024
H    -0.465979   -0.364991   -0.807088    0.392764    0.342436    0.764260
"

r3dmol() %>%
  m_add_model(data = xyz, format = "xyz") %>%
  m_set_style(style = m_style_stick()) %>%
  m_vibrate(numFrames = 10, amplitude = 1) %>%
  m_animate(options = list(loop = "backAndForth", reps = 0)) %>%
  m_zoom_to()
# }