Nothing
read.crd.amber <- function(file, ...) {
cl <- match.call()
if(missing(file)) {
stop("read.pdb: please specify a PDB 'file' for reading")
}
##- Check if file exists locally or on-line
if(!file.exists(file)) {
stop("No input PDB file found: check filename")
}
## parse CRD file with cpp function
crd <- .read_crd(file)
if(!is.null(crd$error))
stop(paste("Could not read", file))
else
class(crd) <- c("amber", "crd")
if(is.na(crd$time))
crd$time <- NULL
if(!length(crd$velocities)>0)
crd$velocities <- NULL
if(!length(crd$box)>0)
crd$box <- NULL
crd$xyz <- as.xyz(crd$xyz)
crd$call <- cl
## finished
return(crd)
}
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