res2xyz: Residue Indices to Coordinate Indices

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

Description

Return the coordinate indices for the provided residue indices.

Usage

res2xyz(res.idc)

Arguments

res.idc

Indicies of residues to convert to coordinate indices

Details

Using the residue indices of the atoms base::data.frame() (e.g., pdb$atom) determine the coodinate indices of the residue atoms (e.g., pdb$xyz).

Value

Vector of coordinate indicies to be applied to pdb$xyz

Author(s)

Emilio Xavier Esposito [e-mail]

See Also

Other utilities: ConservationSet, DetermineChainsOfInterest, ExtractFileTimeStamp, ExtractPDBids, FileTimeStamp, HasXWaters, Nearby, ProtHetWatIndices, RescaleValues, RetainChainsOfInterest, ReturnPDBfullPath, StandardizeAsparticAcidNames, StandardizeCysteineNames, StandardizeGlutamicAcidNames, StandardizeHistidineNames, StandardizeLysineNames, TimeSpan, UniqueAtomHashes, aaStandardizeNames, getAtomTypeCounts, getResTypeCounts, resAtomType2AtomClass, write.basic.pdb, write.conservedWaters.pdb

Examples

  res.idc <- c(5:10)
  res2xyz(res.idc)
  # [1] 13 15 15 16 18 18 19 21 21 22 24 24 25 27 27 28 30

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