Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite-1.5/data/fragments/GLY.db @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
---|---|
date | Tue, 24 Jul 2012 11:08:49 -0400 |
parents | |
children |
rev | line source |
---|---|
15
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1 <node>GLY |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
2 <node>Names |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
3 <node>Glycine</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
4 <node>Glycin</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
5 <node>Gly</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
6 <node>G</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
7 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
8 <node>Atoms |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
9 <node>N<value>N 0.09000722 1.216287 -0.1108443</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
10 <node>3H<value>H 0.8807056 1.803007 0.1270226</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
11 <node>CA<value>C -0.6332095 1.869306 -1.215941</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
12 <node>1HA<value>H -0.02850649 1.801736 -2.120623</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
13 <node>2HA<value>H -1.579168 1.352425 -1.380715</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
14 <node>C<value>C -0.8818576 3.344497 -0.910938</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
15 <node>O<value>O 0.06351577 3.962237 -0.3713815</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
16 <node>1H<value>H -0.5183882 1.138782 0.691625</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
17 <node>2H<value>H 0.4027565 0.2984461 -0.3934918</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
18 <node>OXT<value>O -1.901015 3.866009 -1.413833</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
19 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
20 <node>Bonds |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
21 <node>5<value>3H N s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
22 <node>6<value>CA N s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
23 <node>10<value>1HA CA s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
24 <node>11<value>2HA CA s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
25 <node>12<value>C CA s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
26 <node>15<value>O C d</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
27 <node>16<value>1H N s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
28 <node>17<value>2H N s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
29 <node>18<value>OXT C s</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
30 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
31 <node>Connections |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
32 <node>N-term<value>N C-term s 1.33 0.5</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
33 <node>C-term<value>C N-term s 1.33 0.5</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
34 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
35 <node>Properties |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
36 <node>AMINO_ACID</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
37 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
38 <node>Variants |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
39 <node>Default |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
40 <node>Delete |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
41 <node>OXT</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
42 <node>1H</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
43 <node>2H</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
44 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
45 <node>Rename |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
46 <node>3H<value>H</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
47 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
48 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
49 <node>GLY-M |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
50 <node>Properties |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
51 <node>C_TERMINAL</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
52 <node>N_TERMINAL</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
53 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
54 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
55 <node>GLY-C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
56 <node>Delete |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
57 <node>1H</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
58 <node>2H</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
59 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
60 <node>Rename |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
61 <node>3H<value>H</value></node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
62 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
63 <node>Properties |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
64 <node>C_TERMINAL</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
65 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
66 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
67 <node>GLY-N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
68 <node>Delete |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
69 <node>OXT</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
70 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
71 <node>Properties |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
72 <node>N_TERMINAL</node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
73 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
74 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
75 </node> |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
76 </node> |