names.polar.atoms: Polar Atom Names

In vanddraabe: Identification and Statistical Analysis of Conserved Waters Near Proteins

Description

Polar atom names based on PDB atom naming conventions.

Usage

names.polar.atoms

Format

An object of class character of length 20.

Details

Polar atoms are those possessing a lone pair(s) of elections able to participate in hydrogen bonds with hydrogen atoms within 3.5 Angstroms and XX degrees of the lone pair containing atom. Traditionally, nitrogen, oxygen, and sulfur atoms possess lone pair(s) of electrons and participate in hydrogen bonds in biological sytems. Water molecules are able to hydrogen bond with and participate in hydrogen bonds.

Author(s)

Emilio Xavier Esposito [e-mail]

See Also

Other constants: names.backbone.atoms, names.res.AtomTypes, names.resATs.carb.sulf, names.resATs.nitro.neut, names.resATs.nitro.pos, names.resATs.oxy.neg, names.resATs.oxy.neut, names.residues, names.sidechain.atoms, names.waters

Examples

  names.polar.atoms
  # [1] "N"   "NE"  "NH1" "NH2" "ND2" "NE2" "ND1" "NZ"  "NE1" "O"   "OD1"
  #     "OD2" "OE1" "OE2" "OG"  "OG1" "OH"  "S"   "SD"  "SG"

vanddraabe documentation built on June 8, 2019, 1:03 a.m.