Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison 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 |
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| children |
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| 14:55c32b55c2c2 | 15:ac342506cd4e |
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| 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> |