comparison CADDSuite-1.6/data/fragments/GLY.db @ 8:dbb480e39d95 draft

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author marcel
date Sat, 15 Dec 2012 13:15:46 -0500
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7:bfab27640f5e 8:dbb480e39d95
1 <node>GLY
2 <node>Names
3 <node>Glycine</node>
4 <node>Glycin</node>
5 <node>Gly</node>
6 <node>G</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.09000722 1.216287 -0.1108443</value></node>
10 <node>3H<value>H 0.8807056 1.803007 0.1270226</value></node>
11 <node>CA<value>C -0.6332095 1.869306 -1.215941</value></node>
12 <node>1HA<value>H -0.02850649 1.801736 -2.120623</value></node>
13 <node>2HA<value>H -1.579168 1.352425 -1.380715</value></node>
14 <node>C<value>C -0.8818576 3.344497 -0.910938</value></node>
15 <node>O<value>O 0.06351577 3.962237 -0.3713815</value></node>
16 <node>1H<value>H -0.5183882 1.138782 0.691625</value></node>
17 <node>2H<value>H 0.4027565 0.2984461 -0.3934918</value></node>
18 <node>OXT<value>O -1.901015 3.866009 -1.413833</value></node>
19 </node>
20 <node>Bonds
21 <node>5<value>3H N s</value></node>
22 <node>6<value>CA N s</value></node>
23 <node>10<value>1HA CA s</value></node>
24 <node>11<value>2HA CA s</value></node>
25 <node>12<value>C CA s</value></node>
26 <node>15<value>O C d</value></node>
27 <node>16<value>1H N s</value></node>
28 <node>17<value>2H N s</value></node>
29 <node>18<value>OXT C s</value></node>
30 </node>
31 <node>Connections
32 <node>N-term<value>N C-term s 1.33 0.5</value></node>
33 <node>C-term<value>C N-term s 1.33 0.5</value></node>
34 </node>
35 <node>Properties
36 <node>AMINO_ACID</node>
37 </node>
38 <node>Variants
39 <node>Default
40 <node>Delete
41 <node>OXT</node>
42 <node>1H</node>
43 <node>2H</node>
44 </node>
45 <node>Rename
46 <node>3H<value>H</value></node>
47 </node>
48 </node>
49 <node>GLY-M
50 <node>Properties
51 <node>C_TERMINAL</node>
52 <node>N_TERMINAL</node>
53 </node>
54 </node>
55 <node>GLY-C
56 <node>Delete
57 <node>1H</node>
58 <node>2H</node>
59 </node>
60 <node>Rename
61 <node>3H<value>H</value></node>
62 </node>
63 <node>Properties
64 <node>C_TERMINAL</node>
65 </node>
66 </node>
67 <node>GLY-N
68 <node>Delete
69 <node>OXT</node>
70 </node>
71 <node>Properties
72 <node>N_TERMINAL</node>
73 </node>
74 </node>
75 </node>
76 </node>