bio3d: atom.index – R documentation

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atom.index

Atom Names/Types

Description

This data set gives for various atom names/types the corresponding atomic symbols.

Usage

atom.index

Format

A data frame with the following components.

name: a character vector containing atom names/types.
symb: a character vector containing atomic symbols.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.

Examples

data(atom.index)
atom.index

# Get the atomic symbol of some atoms
atom.names <- c("CA", "O", "N", "OXT")
atom.index[match(atom.names, atom.index$name), "symb"]

bio3d

Biological Structure Analysis

v2.4-2

GPL (>= 2)

Authors

Barry Grant [aut, cre], Xin-Qiu Yao [aut], Lars Skjaerven [aut], Julien Ide [aut]

Initial release