m_multi_resi_sel: Selection Across Multiple Residues

In r3dmol: Create Interactive 3D Visualizations of Molecular Data

Description

Behaves just like the m_sel(), but returns a new selection for each residue specified with resi.

Usage

m_multi_resi_sel(
  resi = NULL,
  resn = NULL,
  chain = NULL,
  model = NULL,
  elem = NULL,
  atom = NULL,
  invert = NULL,
  byres = NULL,
  b = NULL,
  expand = NULL,
  bonds = NULL,
  ss = NULL,
  clickable = NULL,
  callback = NULL
)

Arguments

resi	Residue number/s. (vector)
resn	Parent residue name as 3-letter code (e.g. "ALA", "GLY", "CYS"...)
chain	String, chain this atom belongs to (e.g. 'A' for chain A)
model	a single model or list of models from which atoms should be selected. Can also specify by numerical creation order. Reverse indexing is allowed (-1 specifies last added model).
elem	element abbreviation (e.g 'H', 'Ca', etc)
atom	Atom name, may be more specific than 'elem' (e.g. 'CA' for alpha carbon)
invert	Logical, if invert = TRUE, Inverts the selection criteria.
byres	Logical, if byres = TRUE, expands the selection to entire residues that include any selected atoms.
b	Atom b factor data
expand	Expand selection to include atoms within a specified distance from current selection. all atoms of any residue that has any atom already selected.
bonds	overloaded to select number of bonds, e.g. bonds = 0 will select all non-bonded atoms
ss	Secondary structure identifier. 'h' for helix, 's' for beta-sheet.
clickable	Set this flag to true to enable click selection handling for this atom
callback	Callback click handler function to be executed on this atom and its parent viewer.

Details

The m_sel(resi = 1:10) returns a selection of all 10 residues. The m_multi_resi_sel(resi = 1:10) returns 10 individual selections, each containing only 1 of the residues.

Value

sel list() for selecting atoms.

Examples

library(r3dmol)

r3dmol() %>%
  m_add_model(data = pdb_6zsl) %>%
  m_set_style(style = m_style_cartoon()) %>%
  m_zoom_to() %>%
  m_add_style(
    sel = m_sel(resi = 1:10),
    style = c(
      m_style_stick(),
      m_style_sphere(scale = 0.3)
    )
  ) %>%
  m_add_line(
    start = m_multi_resi_sel(resi = rep(1, 9), chain = "A"),
    end = m_multi_resi_sel(
      resi = 2:10,
      chain = "B"
    )
  )

r3dmol documentation built on March 14, 2021, 5:08 p.m.