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Commit bf0b3789 authored by Alexander Rose's avatar Alexander Rose
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handle modified base rings (DP, DZ)

parent 0810ed41
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......@@ -107,6 +107,10 @@ function createNucleotideBlockMesh(ctx: VisualContext, unit: Unit, structure: St
idx3 = atomicIndex.findAtomOnResidue(residueIndex, 'C4')
idx4 = atomicIndex.findAtomOnResidue(residueIndex, 'C2')
idx5 = atomicIndex.findAtomOnResidue(residueIndex, 'N1')
if (idx5 === -1) {
// modified ring, e.g. DZ
idx5 = atomicIndex.findAtomOnResidue(residueIndex, 'C1')
}
idx6 = traceElementIndex[residueIndex]
}
......
......@@ -122,8 +122,16 @@ function createNucleotideRingMesh(ctx: VisualContext, unit: Unit, structure: Str
idxN3 = atomicIndex.findAtomOnResidue(residueIndex, 'N3')
idxC4 = atomicIndex.findAtomOnResidue(residueIndex, 'C4')
idxC5 = atomicIndex.findAtomOnResidue(residueIndex, 'C5')
if (idxC5 === -1) {
// modified ring, e.g. DP
idxC5 = atomicIndex.findAtomOnResidue(residueIndex, 'N5')
}
idxC6 = atomicIndex.findAtomOnResidue(residueIndex, 'C6')
idxN7 = atomicIndex.findAtomOnResidue(residueIndex, 'N7')
if (idxN7 === -1) {
// modified ring, e.g. DP
idxN7 = atomicIndex.findAtomOnResidue(residueIndex, 'C7')
}
idxC8 = atomicIndex.findAtomOnResidue(residueIndex, 'C8')
idxN9 = atomicIndex.findAtomOnResidue(residueIndex, 'N9')
......@@ -148,6 +156,10 @@ function createNucleotideRingMesh(ctx: VisualContext, unit: Unit, structure: Str
} else if (isPyrimidine) {
idxTrace = traceElementIndex[residueIndex]
idxN1 = atomicIndex.findAtomOnResidue(residueIndex, 'N1')
if (idxN1 === -1) {
// modified ring, e.g. DZ
idxN1 = atomicIndex.findAtomOnResidue(residueIndex, 'C1')
}
idxC2 = atomicIndex.findAtomOnResidue(residueIndex, 'C2')
idxN3 = atomicIndex.findAtomOnResidue(residueIndex, 'N3')
idxC4 = atomicIndex.findAtomOnResidue(residueIndex, 'C4')
......
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