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standard.tcl
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standard.tcl
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#****h* itrajcomp/standard
# NAME
# standard
#
# DESCRIPTION
# Standard calculation types.
#****
#****f* standard/AddStandardCalc
# NAME
# AddStandardCalc
# SYNOPSIS
# itrajcomp::AddStandardCalc
# FUNCTION
# Standard calculation types for the vanilla itrajcomp plugin.
# SOURCE
proc itrajcomp::AddStandardCalc {} {
# TODO: what is this doing here? setting a default?
variable calctype "rmsd"
global env
# Frames mode
set mode frames
foreach type {rmsd rgyr contacts hbonds labels} desc {"Root mean square deviation" "Radius of gyrantion difference" "Number of contacts" "Number of hydrogen bonds" "VMD labels: distance, angles, dihedrals"} {
[namespace current]::AddCalc $type $mode $desc [file join $env(ITRAJCOMPDIR) $type.tcl]
}
# Segments mode
set mode segments
foreach type {dist covar} desc {"Distance" "Covariance"} {
[namespace current]::AddCalc $type $mode $desc [file join $env(ITRAJCOMPDIR) $type.tcl]
}
}
#*****