write.basic.pdb: Write Basic PDB File

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

Description

Writes standard PDB file.

Usage

write.basic.pdb(file, atoms.oi)

Arguments

file	Filename with ".pdb" extension.
atoms.oi	The atoms base::data.frame().

Details

Using the bio3d::write.pdb() function this function writes a PDB file from a base::data.frame() containing the typical PDB file information. This function is called from the FreeSASA.diff() function within the HydrophilicityEvaluation() function.

NOTE: This is a non-public function.

Value

Writes a PDB file for the FreeSASA.diff() function.

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, res2xyz, resAtomType2AtomClass, write.conservedWaters.pdb

Examples

  ## Not run: 
    write.basic.pdb(file = "just_some_PDB.pdb", atoms.oi)
  
## End(Not run)

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