if (FALSE) {
# Read a PDB file
pdb <- read.pdb("4q21")
pdb
head( pdb$atom[pdb$calpha,"resno"] )
# Convert to CHARMM format
new <- convert.pdb(pdb, type="amber", renumber=TRUE, first.resno=22 )
head( new$atom[new$calpha,"resno"] )
# Write a PDB file
#write.pdb(new, file="tmp4amber.pdb")
}
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