message: adjust grid-cell-count in partitionAtomicUnitByResidue
diff: @@ -579,20 +579,23 @@ namespace Structure {
  // keeps atoms of residues together
  function partitionAtomicUnitByResidue(model: Model, indices: SortedArray, builder: StructureBuilder) {
  - model.atomicHierarchy.residueAtomSegments.offsets
  + const { residueAtomSegments } = model.atomicHierarchy
  const startIndices: number[] = []
  const endIndices: number[] = []
  - const residueIt = Segmentation.transientSegments(model.atomicHierarchy.residueAtomSegments, indices)
  + const residueIt = Segmentation.transientSegments(residueAtomSegments, indices)
  while (residueIt.hasNext) {
  const residueSegment = residueIt.move();
  startIndices[startIndices.length] = indices[residueSegment.start]
  endIndices[endIndices.length] = indices[residueSegment.end]
  }
  + const firstResidueAtomCount = endIndices[0] - startIndices[0]
  + const gridCellCount = 512 * firstResidueAtomCount
  +
  const { x, y, z } = model.atomicConformation;
  - const lookup = GridLookup3D({ x, y, z, indices: SortedArray.ofSortedArray(startIndices) }, 8192);
  + const lookup = GridLookup3D({ x, y, z, indices: SortedArray.ofSortedArray(startIndices) }, gridCellCount);
  const { offset, count, array } = lookup.buckets;
  for (let i = 0, _i = offset.length; i < _i; i++) {
  