From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/docs/feature/DistanceMatrix.html | 111 ++++++++++++++++++++++++++++++++++ 1 file changed, 111 insertions(+) create mode 100644 java/docs/feature/DistanceMatrix.html (limited to 'java/docs/feature/DistanceMatrix.html') diff --git a/java/docs/feature/DistanceMatrix.html b/java/docs/feature/DistanceMatrix.html new file mode 100644 index 0000000..ecd0533 --- /dev/null +++ b/java/docs/feature/DistanceMatrix.html @@ -0,0 +1,111 @@ +

Descriptor

Topological distance matrix

Calculates the topological distances between all atom pairs. +Here a simple BFS (see also ) +is used to calculate these distances, which causes a running time of +O(A³), where +A is the number of atoms.

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