Add structure

Add a structure to the NGLVieweR object, either from a PDB entry code, a file, or directly from the R environment.

addStructure(NGLVieweR, data, format = NULL)

Arguments

NGLVieweR

A NGLVieweR object.

data

Structure data to be added. Can be a PDB entry code (e.g. "7CID"), a file path to a structure file, or a text representation of the structure.

format

Format of the structure file, if reading from a file. Supported formats are "pdb", "cif", etc. If the file format cannot be inferred from the file name, this parameter must be specified.

Value

An updated NGLVieweR object with the added structure.

Details

This function allows you to add a structure to the NGLVieweR widget. You can add the structure using a PDB entry code, by specifying a local file, or by providing the structure data directly. If the format is not clear from the input, you may need to specify it using the format parameter.

Examples

NGLVieweR("1CRN") %>%
  addRepresentation("cartoon", param = list(color = "blue")) %>%
  addStructure("1CRN") %>%
  addRepresentation("cartoon", param = list(color = "orange")) %>%
  setPosition(x = 20, y = 0, z = 0) %>%
  setRotation(x = 2, y = 0, z = 0, degrees = FALSE) %>% 
  setScale(0.5)


# Note: The first "1CRN" structure is represented in blue, while the second 
# "1CRN" structure is represented in orange. Transformations such as 
# setPosition, setRotation, and setScale apply to the second 
# (most recently added) structure.