Nothing
"com.pdb" <-
function(pdb, inds=NULL, use.mass=TRUE, ... ) {
if (missing(pdb))
stop("Please supply an input 'pdb' object, i.e. from 'read.pdb()'")
if(!is.pdb(pdb))
stop("Input 'pdb' must be of type 'pdb'")
if(is.null(inds)) {
xyz <- pdb$xyz
at <- pdb$atom[, "elety"]
}
else {
if(!is.select(inds))
stop("provide a select object as obtained from 'atom.select'")
if(length(inds$xyz)<3)
stop("insufficient atoms in selection")
xyz <- pdb$xyz[,inds$xyz]
at <- pdb$atom[inds$atom, "elety"]
}
if(use.mass) {
m <- atom2mass(at, ...)
}
else {
m <- NULL
}
com <- com.xyz(xyz, m)
return(com)
}
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