Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/data/OpenBabel/mmffprop.par @ 18:026f5a483650 draft default tip
Deleted selected files
| author | marcel |
|---|---|
| date | Sun, 30 Nov 2014 03:47:45 -0500 |
| parents | 25a03362403c |
| children |
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--- a/CADDSuite-1.6/data/OpenBabel/mmffprop.par Sat Dec 15 13:10:41 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,103 +0,0 @@ -* -* Copyright (c) Merck and Co., Inc., 1993 -* All Rights Reserved -* -* MMFFPROP - MMFF atom-type properties -* -* atype aspec crd val pilp mltb arom lin sbmb - 1 6 4 4 0 0 0 0 0 - 2 6 3 4 0 2 0 0 1 - 3 6 3 4 0 2 0 0 1 - 4 6 2 4 0 3 0 1 1 - 5 1 1 1 0 0 0 0 0 - 6 8 2 2 1 0 0 0 0 - 7 8 1 2 0 2 0 0 0 - 8 7 3 3 1 0 0 0 0 - 9 7 2 3 0 2 0 0 1 - 10 7 3 3 1 1 0 0 0 - 11 9 1 1 1 0 0 0 0 - 12 17 1 1 1 0 0 0 0 - 13 35 1 1 1 0 0 0 0 - 14 53 1 1 1 0 0 0 0 - 15 16 2 2 1 0 0 0 0 - 16 16 1 2 0 2 0 0 0 - 17 16 3 4 0 2 0 0 0 - 18 16 4 4 0 0 0 0 0 - 19 14 4 4 0 0 0 0 0 - 20 6 4 4 0 0 0 0 0 - 21 1 1 1 0 0 0 0 0 - 22 6 4 4 0 0 0 0 0 - 23 1 1 1 0 0 0 0 0 - 24 1 1 1 0 0 0 0 0 - 25 15 4 4 0 0 0 0 0 - 26 15 3 3 1 0 0 0 0 - 27 1 1 1 0 0 0 0 0 - 28 1 1 1 0 0 0 0 0 - 29 1 1 1 0 0 0 0 0 - 30 6 3 4 0 2 0 0 1 - 31 1 1 1 0 0 0 0 0 - 32 8 1 12 1 1 0 0 0 - 33 1 1 1 0 0 0 0 0 - 34 7 4 4 0 0 0 0 0 - 35 8 1 1 1 1 0 0 0 - 36 1 1 1 0 0 0 0 0 - 37 6 3 4 0 2 1 0 1 - 38 7 2 3 0 2 1 0 0 - 39 7 3 3 1 1 1 0 1 - 40 7 3 3 1 0 0 0 0 - 41 6 3 4 0 1 0 0 0 - 42 7 1 3 0 3 0 0 0 - 43 7 3 3 1 0 0 0 0 - 44 16 2 2 1 1 1 0 0 - 45 7 3 4 0 2 0 0 0 - 46 7 2 3 0 2 0 0 0 - 47 7 1 2 0 2 0 0 0 - 48 7 2 2 0 0 0 0 0 - 49 8 3 3 0 0 0 0 0 - 50 1 1 1 0 0 0 0 0 - 51 8 2 3 0 2 0 0 0 - 52 1 1 1 0 0 0 0 0 - 53 7 2 4 0 2 0 1 0 - 54 7 3 4 0 2 0 0 1 - 55 7 3 34 0 1 0 0 0 - 56 7 3 34 0 1 0 0 0 - 57 6 3 4 0 2 0 0 1 - 58 7 3 4 0 1 1 0 1 - 59 8 2 2 1 1 1 0 0 - 60 6 1 3 0 3 0 0 0 - 61 7 2 4 0 3 0 1 0 - 62 7 2 2 1 0 0 0 0 - 63 6 3 4 0 2 1 0 1 - 64 6 3 4 0 2 1 0 1 - 65 7 2 3 0 2 1 0 0 - 66 7 2 3 0 2 1 0 0 - 67 7 3 4 0 2 0 0 1 - 68 7 4 4 0 0 0 0 0 - 69 7 3 4 0 1 1 0 0 - 70 8 2 2 1 0 0 0 0 - 71 1 1 1 0 0 0 0 0 - 72 16 1 1 1 1 0 0 0 - 73 16 3 3 0 0 0 0 0 - 74 16 2 4 0 2 0 0 0 - 75 15 2 3 0 2 0 0 1 - 76 7 2 2 1 0 0 0 0 - 77 17 4 4 0 0 0 0 0 - 78 6 3 4 0 2 1 0 1 - 79 7 2 3 0 2 1 0 0 - 80 6 3 4 0 2 0 0 1 - 81 7 3 4 0 1 1 0 1 - 82 7 3 4 0 1 1 0 0 - 87 26 0 0 0 0 0 0 0 - 88 26 0 0 0 0 0 0 0 - 89 9 0 0 0 0 0 0 0 - 90 17 0 0 0 0 0 0 0 - 91 35 0 0 0 0 0 0 0 - 92 3 0 0 0 0 0 0 0 - 93 11 0 0 0 0 0 0 0 - 94 19 0 0 0 0 0 0 0 - 95 30 0 0 0 0 0 0 0 - 96 20 0 0 0 0 0 0 0 - 97 29 0 0 0 0 0 0 0 - 98 29 0 0 0 0 0 0 0 - 99 12 0 0 0 0 0 0 0 -$