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/resources/patty.txt | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 java/resources/patty.txt (limited to 'java/resources/patty.txt') diff --git a/java/resources/patty.txt b/java/resources/patty.txt new file mode 100644 index 0000000..73e1ee4 --- /dev/null +++ b/java/resources/patty.txt @@ -0,0 +1,4 @@ +O=C hbacceptor1 +a aromat +c1ccccc1 benzol +[Cl;Br;I] hal \ No newline at end of file -- cgit v1.2.3