Dear All
when running convert_restraints_to_xplor.tcl I have found that using
removeLowLikelihoodPeakAssignments with any value doesn't change the number
of assignments written
the function is used as follows
removeLowLikelihoodPeakAssignments \
-pot $3dc \
-likelihoodCutoff 0.9
however, the source is
proc removeLowLikelihoodPeakAssignments args {
set pot [requiredFlagVal $args -pot]
set cutoff [flagVal $args -cutoff 0.91]
set remVar [flagVal $args -remarksVariableName ""]
set preventUnassignment [flagExists $args -preventUnassignment]
clearly the flag should be -cutoff rather than -likelihoodCutoff (which i
guess it was at some date in the past)
regards
gary
nb. while sorting this out i wrote the following functions to count the
current number of active pa's
proc countAssignments potential {
set i 0
set j 0
foreach curPeak [$potential peaks] {
Peak -this $curPeak
set pas [$curPeak peakAssignments]
if {[llength $pas] > 0} {
incr j
}
foreach curPA $pas {
incr i
}
}
return [list $j $i]
}
based on removeLowLikelihoodPeakAssignments
now this brought up some questions
a. what is the list of sub commands for a potential (or where do i find it)
b. what does Peak/PA -this $curPeak do?
c. is there an easier way to do this?
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