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VMD Plugin: atomselect error when running protein with negative resid numbers #578

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lindseymriggs opened this issue Jan 30, 2025 · 0 comments
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bug Something isn't working VMD Plugin

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@lindseymriggs
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I get the error below when running blobulation on 3zbd.pdb: https://www.rcsb.org/structure/3zbd

atomselect: cannot parse selection text: resid -4 -3 -2 -1 0 1 2 3 4 5 6 11 12 13 14 15 16 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 46 47 48 49 50 51 52 53 54 55 56 57 58 59 98 99 100 101 102 103 104 105 3 4 5 6 11 12 13 14 15 16 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 46 47 48 49 50 51 52 53 54 55 56 57 58 59 98 99 100 101 102 103 104 105 and protein and canonAA
atomselect: cannot parse selection text: resid -4 -3 -2 -1 0 1 2 3 4 5 6 11 12 13 14 15 16 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 46 47 48 49 50 51 52 53 54 55 56 57 58 59 98 99 100 101 102 103 104 105 3 4 5 6 11 12 13 14 15 16 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 46 47 48 49 50 51 52 53 54 55 56 57 58 59 98 99 100 101 102 103 104 105 and protein and canonAA
    while executing
"atomselect $molid "resid $residues and protein and canonAA""
    (procedure "::blobulator::blobUserAssignSelector" line 25)
    invoked from within
"::blobulator::blobUserAssignSelector $chainBlobs $MolID $::blobulator::sorted"
    (procedure "::blobulator::blobulateSelection" line 75)
    invoked from within
"::blobulator::blobulateSelection $::blobulator::MolID $::blobulator::Lmin $::blobulator::H $::blobulator::select $::blobulator::hydropathyScaleDiction..."
    (procedure "blobulation" line 10)
    invoked from within
"blobulation "
    invoked from within
".blob.blobulate invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .blob.blobulate"
    (command bound to event)
@lindseymriggs lindseymriggs added bug Something isn't working VMD Plugin labels Jan 30, 2025
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