Hi,
I was trying to use formatconverter to import some sparky resonances (from a .ppm file). At first glance everything seems to run beautifully, but then some issues arose:
1) it (correctly) marks some misassigned (in Sparky) resonances as being unrecognized on the command line, so I went back and edited the text file to fix these. And the re-imported as a new shift list. Here things started to act up:
a) the same error message popped up even though the affected shifts in the imported file had been corrected (i.e. those specific entries were gone!) Is it at all possible that FC caches or stores previously read imported files and uses those data upon importing the same file again?
b) I was trying to import to chain B of MS2, but found that most resonances were sent to chain A. Only the edited ones were actually showing up as B. Here it is worth noting that this shiftlist was almost identical an earlier list that was imported as chain B of the same MS2.
So even though I am designating the shiftlinker to use chain B it is almost like it notices that the shifts are identical to those in A and thus chooses to use A instead. An alternate explanation is that it is somehow 'remembering' the settings from the earlier import and (in part) uses those... either way it is not acting as I would expect. (Yet another thought that crossed my mind is that this is a feature when it finds 'duplicate' resonances and puts those on purpose into the other chain assignment)
Indeed, if I use a new project to try again, it seems to work nicely during the first import. But similar problems surface during the second import, even when not using the 'fast' mode of LinkResonances. Also, here I again have difficulty getting it to assign shifts to chain B rather than A. It seems inclined to assign things to chain A.
Patrick
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