loadContacts: Load contacts from a .ngl file

In nvelden/shinyNGLVieweR: Shiny application for the NGLVieweR package

Load contacts from a .ngl file

Description

Load contacts from a .ngl file

Usage

loadContacts(
  NGLVieweR,
  contacts,
  contactTypes = list("hydrogenBond", "weakHydrogenBond", "waterHydrogenBond",
    "backboneHydrogenBond", "hydrophobic", "halogenBond", "ionicInteraction",
    "metalCoordination", "cationPi", "piStacking")
)

Arguments

NGLVieweR	NGLVIeweR object.
contacts	data.frame of contacts loaded from .ngl file.
contactTypes	list of all different contactTypes that should be matched.

nvelden/shinyNGLVieweR documentation built on Nov. 20, 2024, 2:12 a.m.