Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite/data/fragments/ASP.db @ 5:b7a89b15646f

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Uploaded
author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents bac3c274238f
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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1 <node>ASP
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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2 <node>Names
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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3 <node>Aspartate</node>
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4 <node>Aspartat</node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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5 <node>Asp</node>
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6 <node>D</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.1006113 1.231053 -0.1065504</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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10 <node>3H<value>H 0.7826706 1.919109 0.1901606</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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11 <node>CA<value>C -0.6776782 1.854581 -1.196471</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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12 <node>HA<value>H -0.140641 1.67647 -2.129506</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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13 <node>C<value>C -0.7684437 3.377808 -1.00658</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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14 <node>O<value>O -0.1755398 3.814352 0.008837678</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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15 <node>CB<value>C -2.059715 1.201639 -1.304611</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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16 <node>1HB<value>H -1.947421 0.1437317 -1.541582</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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17 <node>2HB<value>H -2.583309 1.296861 -0.3531539</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 -2.895658 1.868856 -2.384729</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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19 <node>OD1<value>O -2.861295 1.365629 -3.526181</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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20 <node>OD2<value>O -3.508188 2.905267 -2.052321</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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21 <node>OXT<value>O -0.9198192 4.048685 -2.051676</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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22 <node>1H<value>H -0.5109496 1.02733 0.6709606</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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23 <node>2H<value>H 0.5472904 0.3836241 -0.4264945</value></node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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24 </node>
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25 <node>Bonds
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26 <node>5<value>3H N s</value></node>
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27 <node>6<value>CA N s</value></node>
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28 <node>10<value>HA CA s</value></node>
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29 <node>11<value>C CA s</value></node>
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30 <node>14<value>O C d</value></node>
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31 <node>15<value>CB CA s</value></node>
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32 <node>19<value>1HB CB s</value></node>
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33 <node>20<value>2HB CB s</value></node>
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34 <node>21<value>CG CB s</value></node>
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35 <node>24<value>OD1 CG a</value></node>
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36 <node>25<value>OD2 CG a</value></node>
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37 <node>26<value>OXT C s</value></node>
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38 <node>27<value>1H N s</value></node>
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39 <node>28<value>2H N s</value></node>
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40 </node>
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41 <node>Connections
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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42 <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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43 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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44 </node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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45 <node>Properties
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46 <node>AMINO_ACID</node>
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47 </node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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48 <node>Variants
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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49 <node>Default
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50 <node>Delete
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51 <node>OXT</node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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52 <node>1H</node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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53 <node>2H</node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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54 </node>
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55 <node>Rename
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56 <node>3H<value>H</value></node>
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57 </node>
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58 </node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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59 <node>ASP-M
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60 <node>Properties
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61 <node>N_TERMINAL</node>
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62 <node>C_TERMINAL</node>
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63 </node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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64 </node>
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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65 <node>ASP-N
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66 <node>Delete
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67 <node>OXT</node>
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68 </node>
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69 <node>Properties
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70 <node>N_TERMINAL</node>
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71 </node>
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72 </node>
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73 <node>ASP-C
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74 <node>Delete
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75 <node>1H</node>
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76 <node>2H</node>
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77 </node>
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78 <node>Rename
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79 <node>3H<value>H</value></node>
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80 </node>
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81 <node>Properties
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82 <node>C_TERMINAL</node>
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83 </node>
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84 </node>
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85 </node>
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86 </node>