Writes conserved water information to a PDB file.
Filename with ".pdb" extension.
The conserved water clusters summary.
bio3d::write.pdb() function this function writes a PDB
file for the conserved water oxygen atoms with the percentage of structures
with a water participting in the cluster (written to the occupancy column)
and the calculated B-value – using the rmsf of the waters in the cluster
– for the waters participating in the cluster (written to the B-value
column). This function is called from the
All water molecules will include the water's oxygen atom (
assigned the residue name (
HOH, and the chain (
while the atom number (
eleno) and residue number (
resno) both start at
NOTE: This is a non-public function.
Writes a PDB file with the X, Y, and Z coordinates, percent conserved within the analyzed structures, and the calculated B-value for the oxygen atoms of the clustered waters.
Emilio Xavier Esposito emilio@exeResearch.com
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