Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/atomtyping/SYBYLTypes.dat @ 10:eda78e0f5df6 draft default tip
Deleted selected files
author | marcel |
---|---|
date | Sun, 30 Nov 2014 03:46:08 -0500 |
parents | 488032d372e1 |
children |
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--- a/CADDSuite-1.6/data/atomtyping/SYBYLTypes.dat Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,66 +0,0 @@ -C.3 6 4 * * * * -C.cat 6 3 * * * (N3,N3,N3) -C.ar 6 3 * * [AR1] * -C.2 6 3 * * * * -C.1 6 2 * * * * -C.1 6 1 * * * * -H 1 -1 * * * * -F 9 -1 * * * * -Cl 17 -1 * * * * -Br 35 -1 * * * * -I 53 -1 * * * * -P.3 15 -1 * * * * -N.4 7 4 * * * * -N.am 7 3 * * * (C3(XA1)) -N.pl3 7 3 * * * (O1,O1) -N.pl3 7 3 * * [AR1.AR2.AR3] * -N.3 7 3 * * * * -N.ar 7 2 * * [AR1] * -N.2 7 2 * * * * -N.1 7 1 * * * * -O.co2 8 1 * * * (C3(O1)) -O.co2 8 1 * * * (P(O1)) -O.2 8 1 * * * * -O.3 8 2 * * * * -S.2 16 1 * * * * -S.3 16 2 * * * * -S.o 16 3 * * * (O1[DB']) -S.o2 16 4 * * * (O1[DB'],O1[DB']) -s.3 16 -1 * * * * -Li 3 -1 * * * * -Be 4 -1 * * * * -B 5 -1 * * * * -Na 11 -1 * * * * -Mg 12 -1 * * * * -Al 13 -1 * * * * -Si 14 -1 * * * * -K 19 -1 * * * * -Ca 20 -1 * * * * -Sr 38 -1 * * * * -Ba 56 -1 * * * * -Sc 21 -1 * * * * -Ti 22 -1 * * * * -V 23 -1 * * * * -Cr 24 -1 * * * * -Mn 25 -1 * * * * -Fe 26 -1 * * * * -Co 27 -1 * * * * -Ni 28 -1 * * * * -Cu 29 -1 * * * * -Zn 30 -1 * * * * -Ga 31 -1 * * * * -Ge 32 -1 * * * * -As 33 -1 * * * * -Se 34 -1 * * * * -Ru 44 -1 * * * * -Rh 45 -1 * * * * -Pd 46 -1 * * * * -Ag 47 -1 * * * * -Cd 48 -1 * * * * -Pt 78 -1 * * * * -Au 79 -1 * * * * -Hg 80 -1 * * * * -Tl 81 -1 * * * * -Pb 82 -1 * * * * -lp 0 1 * * * * -ANY -1 -1 * * * * *