vanddraabe (version 1.1.1)

write.basic.pdb: Write Basic PDB File

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().

Value

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

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.

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 {
  
# }
# NOT RUN {
    write.basic.pdb(file = "just_some_PDB.pdb", atoms.oi)
  
# }
# NOT RUN {
# }