Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/data/fragments/SER.db @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
| author | marcel |
|---|---|
| date | Tue, 07 Jun 2011 16:43:30 -0400 |
| parents | |
| children |
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| -1:000000000000 | 0:bac3c274238f |
|---|---|
| 1 <node>SER | |
| 2 <node>Names | |
| 3 <node>Serine</node> | |
| 4 <node>Serin</node> | |
| 5 <node>Ser</node> | |
| 6 <node>S</node> | |
| 7 </node> | |
| 8 <node>Atoms | |
| 9 <node>N<value>N 0.1130663 1.226434 -0.1468897</value></node> | |
| 10 <node>3H<value>H 0.8968111 1.837972 0.05464922</value></node> | |
| 11 <node>CA<value>C -0.7048293 1.905604 -1.168307</value></node> | |
| 12 <node>HA<value>H -0.2017423 1.780946 -2.128185</value></node> | |
| 13 <node>C<value>C -0.7701361 3.410257 -0.8778276</value></node> | |
| 14 <node>O<value>O 0.1488766 3.858471 -0.1539113</value></node> | |
| 15 <node>CB<value>C -2.088618 1.24965 -1.250489</value></node> | |
| 16 <node>1HB<value>H -1.956628 0.1725609 -1.368818</value></node> | |
| 17 <node>2HB<value>H -2.637483 1.435655 -0.3253672</value></node> | |
| 18 <node>OG<value>O -2.817839 1.744102 -2.356831</value></node> | |
| 19 <node>HG<value>H -3.648096 1.264079 -2.429246</value></node> | |
| 20 <node>OXT<value>O -1.487331 4.10633 -1.629405</value></node> | |
| 21 <node>1H<value>H -0.4311985 1.10388 0.6950446</value></node> | |
| 22 <node>2H<value>H 0.4303224 0.3296314 -0.4862972</value></node> | |
| 23 </node> | |
| 24 <node>Bonds | |
| 25 <node>5<value>3H N s</value></node> | |
| 26 <node>6<value>CA N s</value></node> | |
| 27 <node>10<value>HA CA s</value></node> | |
| 28 <node>11<value>C CA s</value></node> | |
| 29 <node>14<value>O C d</value></node> | |
| 30 <node>15<value>CB CA s</value></node> | |
| 31 <node>19<value>1HB CB s</value></node> | |
| 32 <node>20<value>2HB CB s</value></node> | |
| 33 <node>21<value>OG CB s</value></node> | |
| 34 <node>23<value>HG OG s</value></node> | |
| 35 <node>24<value>OXT C s</value></node> | |
| 36 <node>25<value>1H N s</value></node> | |
| 37 <node>26<value>2H N s</value></node> | |
| 38 </node> | |
| 39 <node>Connections | |
| 40 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 41 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 42 </node> | |
| 43 <node>Properties | |
| 44 <node>AMINO_ACID</node> | |
| 45 </node> | |
| 46 <node>Variants | |
| 47 <node>Default | |
| 48 <node>Delete | |
| 49 <node>OXT</node> | |
| 50 <node>1H</node> | |
| 51 <node>2H</node> | |
| 52 </node> | |
| 53 <node>Rename | |
| 54 <node>3H<value>H</value></node> | |
| 55 </node> | |
| 56 </node> | |
| 57 <node>SER-M | |
| 58 <node>Properties | |
| 59 <node>N_TERMINAL</node> | |
| 60 <node>C_TERMINAL</node> | |
| 61 </node> | |
| 62 </node> | |
| 63 <node>SER-N | |
| 64 <node>Delete | |
| 65 <node>OXT</node> | |
| 66 </node> | |
| 67 <node>Properties | |
| 68 <node>N_TERMINAL</node> | |
| 69 </node> | |
| 70 </node> | |
| 71 <node>SER-C | |
| 72 <node>Delete | |
| 73 <node>1H</node> | |
| 74 <node>2H</node> | |
| 75 </node> | |
| 76 <node>Rename | |
| 77 <node>3H<value>H</value></node> | |
| 78 </node> | |
| 79 <node>Properties | |
| 80 <node>C_TERMINAL</node> | |
| 81 </node> | |
| 82 </node> | |
| 83 </node> | |
| 84 </node> |