comparison CADDSuite/data/atomtyping/AMBERTypes.dat @ 3:bb26168c5715

Uploaded
author marcel
date Tue, 12 Jul 2011 10:53:07 -0400
parents 8ce0411aaeb3
children
comparison
equal deleted inserted replaced
2:e343494f18fe 3:bb26168c5715
1 CT 6 4 * * * *
2 C 6 3 * * * (XA1)
3 CN 6 3 * * [RG5,RG6,AR1.AR2.AR3] (C3,C3,N3(H))
4 CB 6 3 * * [RG5,RG6,AR1.AR2.AR3] *
5 CR 6 3 * * [RG5,AR1.AR2.AR3] (N3,N3)
6 CR 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3(H))
7 CK 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3)
8 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N3(C3,H))
9 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N2(C3))
10 CW 6 3 * * [RG5,AR1.AR2.AR3] (C3,N3(H))
11 CV 6 3 * * [RG5,AR1.AR2.AR3] (C3,N2)
12 C* 6 3 * * [RG5,AR1.AR2.AR3] (C3,C3)
13 CQ 6 3 * * [RG6,AR1.AR2.AR3] (N2,N2)
14 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N2(C3(N3(C3)))))
15 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N3(C3(N3(C3)))))
16 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,N3(C3(N2(C3(C3)))))
17 CM 6 3 * * [RG6,AR1.AR2.AR3] (N3,C3(C3(N3(C3(N3)))))
18 CA 6 3 * * [AR1.AR2.AR3] *
19 CD 6 3 * * * (C3,C3)
20 CM 6 3 * * * *
21 CZ 6 2 * * * *
22 H 1 1 * * * (N)
23 HS 1 1 * * * (S)
24 HP 1 1 * * * (C(N4))
25 HW 1 1 * * * (O(H1))
26 HO 1 1 * * * (O)
27 H1 1 1 * 1 * (C4)
28 H2 1 1 * 2 * (C4)
29 H3 1 1 * 3 * (C4)
30 HC 1 1 * * * (C4)
31 H4 1 1 * 1 * (XX[AR1.AR2.AR3])
32 H5 1 1 * 2 * (XX[AR1.AR2.AR3])
33 HA 1 1 * * * (XX[AR1.AR2.AR3])
34 F 9 1 * * * *
35 Cl 17 1 * * * *
36 Br 35 1 * * * *
37 I 53 1 * * * *
38 N1 7 1 * * * *
39 NB 7 2 * * [RG5,AR1.AR2.AR3] *
40 NC 7 2 * * [RG6,AR1.AR2.AR3] *
41 N2 7 -1 * * * (C3(N3,N3))
42 NO 7 -1 * * * (O1,O1)
43 NA 7 3 1 * [RG5.RG6,AR1.AR2.AR3] *
44 N2 7 3 * * [NR] (XX[AR1.AR2.AR3])
45 N* 7 3 * * [AR1.AR2.AR3] *
46 N 7 3 * * * (C3(XA1))
47 NT 7 3 * * * *
48 N3 7 4 * * * *
49 O2 8 1 * * * (C(O1))
50 O2 8 1 * * * (P)
51 O 8 1 * * * (C)
52 O 8 1 * * * (S)
53 OH 8 2 1 * * *
54 OW 8 2 2 * * *
55 OS 8 2 * * * *
56 SH 16 2 1 * * *
57 SH 16 2 2 * * *
58 S 16 2 * * * *
59 SO 16 4 * * * *
60 LP 0 -1 * * * *
61 DU -1 -1 * * * *