Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite/data/fragments/GLU.db @ 7:5b29b679ee6d

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Uploaded Version 0.95
author marcel
date Tue, 12 Jul 2011 10:29:49 -0400
parents bac3c274238f
children
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bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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1 <node>GLU
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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2 <node>Names
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3 <node>Glutamate</node>
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4 <node>Glutamat</node>
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5 <node>Glu</node>
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6 <node>Q</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.09036078 1.20944 -0.09877955</value></node>
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10 <node>3H<value>H 0.992178 1.663159 -0.02552702</value></node>
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11 <node>CA<value>C -0.6644503 1.887128 -1.167784</value></node>
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12 <node>HA<value>H -0.1401839 1.690991 -2.10393</value></node>
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13 <node>C<value>C -0.6415405 3.403009 -0.9416856</value></node>
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14 <node>O<value>O 0.5018099 3.910433 -0.8834405</value></node>
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15 <node>CB<value>C -2.078524 1.299661 -1.288965</value></node>
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16 <node>1HB<value>H -2.006071 0.2127525 -1.352877</value></node>
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17 <node>2HB<value>H -2.670931 1.54428 -0.4052964</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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18 <node>CG<value>C -2.807634 1.790975 -2.546677</value></node>
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19 <node>1HG<value>H -2.881274 2.877187 -2.559357</value></node>
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20 <node>2HG<value>H -2.268831 1.463546 -3.436255</value></node>
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21 <node>CD<value>C -4.223983 1.236637 -2.597517</value></node>
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22 <node>OE1<value>O -5.044554 1.733033 -1.797006</value></node>
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23 <node>OE2<value>O -4.450723 0.3260741 -3.421581</value></node>
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24 <node>1H<value>H -0.4043283 1.301303 0.7769806</value></node>
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25 <node>2H<value>H 0.2085563 0.2320959 -0.3244812</value></node>
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26 <node>OXT<value>O -1.674247 3.928742 -0.470977</value></node>
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27 </node>
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28 <node>Bonds
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29 <node>5<value>3H N s</value></node>
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30 <node>6<value>CA N s</value></node>
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31 <node>10<value>HA CA s</value></node>
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38 <node>25<value>1HG CG s</value></node>
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41 <node>30<value>OE1 CD a</value></node>
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43 <node>32<value>1H N s</value></node>
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45 <node>34<value>OXT C s</value></node>
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46 </node>
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47 <node>Connections
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48 <node>N-term<value>N C-term s 1.33 0.5</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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49 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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50 </node>
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51 <node>Properties
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52 <node>AMINO_ACID</node>
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53 </node>
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54 <node>Variants
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55 <node>Default
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56 <node>Delete
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57 <node>OXT</node>
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58 <node>1H</node>
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59 <node>2H</node>
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60 </node>
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61 <node>Rename
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62 <node>3H<value>H</value></node>
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63 </node>
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64 </node>
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65 <node>GLU-M
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66 <node>Properties
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67 <node>C_TERMINAL</node>
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68 <node>N_TERMINAL</node>
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69 </node>
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70 </node>
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71 <node>GLU-C
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72 <node>Delete
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73 <node>1H</node>
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74 <node>2H</node>
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75 </node>
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76 <node>Rename
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77 <node>3H<value>H</value></node>
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78 </node>
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79 <node>Properties
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80 <node>C_TERMINAL</node>
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81 </node>
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82 </node>
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83 <node>GLU-N
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84 <node>Delete
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85 <node>OXT</node>
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86 </node>
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87 <node>Properties
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88 <node>N_TERMINAL</node>
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89 </node>
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90 </node>
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91 </node>
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92 </node>