Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/data/fragments/TYR.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 |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite/data/fragments/TYR.db Tue Jun 07 16:43:30 2011 -0400 @@ -0,0 +1,105 @@ +<node>TYR + <node>Names + <node>Tyrosine</node> + <node>Tyrosin</node> + <node>Tyr</node> + <node>Y</node> + </node> + <node>Atoms + <node>N<value>N 0.0892698 1.397582 0.01951128</value></node> + <node>3H<value>H 0.7468582 2.066645 0.3997705</value></node> + <node>CA<value>C -0.7022205 2.069859 -1.026261</value></node> + <node>HA<value>H -0.008099081 2.359834 -1.816127</value></node> + <node>C<value>C -1.325588 3.357111 -0.4775957</value></node> + <node>O<value>O -0.5109698 4.260831 -0.1874116</value></node> + <node>CB<value>C -1.734457 1.10693 -1.63201</value></node> + <node>1HB<value>H -1.201299 0.2395796 -2.0242</value></node> + <node>2HB<value>H -2.395853 0.7504926 -0.8408001</value></node> + <node>CG<value>C -2.557806 1.696825 -2.76258</value></node> + <node>CD1<value>C -3.932589 1.947373 -2.588092</value></node> + <node>HD1<value>H -4.418424 1.704676 -1.654011</value></node> + <node>CD2<value>C -1.942974 2.007092 -3.98996</value></node> + <node>HD2<value>H -0.8916094 1.806731 -4.138027</value></node> + <node>CE1<value>C -4.68326 2.520281 -3.629397</value></node> + <node>HE1<value>H -5.736402 2.710342 -3.483602</value></node> + <node>CE2<value>C -2.6951 2.579179 -5.030118</value></node> + <node>HE2<value>H -2.222162 2.818849 -5.971263</value></node> + <node>CZ<value>C -4.063968 2.83503 -4.851168</value></node> + <node>OH<value>O -4.785331 3.388967 -5.865766</value></node> + <node>HH<value>H -5.709894 3.51796 -5.645833</value></node> + <node>OXT<value>O -2.492483 3.282188 -0.03387626</value></node> + <node>1H<value>H -0.5246789 1.074702 0.7536617</value></node> + <node>2H<value>H 0.5865244 0.613409 -0.3778604</value></node> + </node> + <node>Bonds + <node>5<value>3H N s</value></node> + <node>6<value>CA N s</value></node> + <node>10<value>HA CA s</value></node> + <node>11<value>C CA s</value></node> + <node>14<value>O C d</value></node> + <node>15<value>CB CA s</value></node> + <node>19<value>1HB CB s</value></node> + <node>20<value>2HB CB s</value></node> + <node>21<value>CG CB s</value></node> + <node>24<value>CD1 CG a</value></node> + <node>27<value>HD1 CD1 s</value></node> + <node>28<value>CD2 CG a</value></node> + <node>31<value>HD2 CD2 s</value></node> + <node>32<value>CE1 CD1 a</value></node> + <node>35<value>HE1 CE1 s</value></node> + <node>36<value>CE2 CD2 a</value></node> + <node>39<value>HE2 CE2 s</value></node> + <node>40<value>CZ CE1 a</value></node> + <node>41<value>CZ CE2 a</value></node> + <node>43<value>OH CZ s</value></node> + <node>45<value>HH OH s</value></node> + <node>46<value>OXT C s</value></node> + <node>47<value>1H N s</value></node> + <node>48<value>2H N s</value></node> + </node> + <node>Connections + <node>N-term<value>N C-term s 1.33 0.5</value></node> + <node>C-term<value>C N-term s 1.33 0.5</value></node> + </node> + <node>Properties + <node>AMINO_ACID</node> + </node> + <node>Variants + <node>Default + <node>Delete + <node>OXT</node> + <node>1H</node> + <node>2H</node> + </node> + <node>Rename + <node>3H<value>H</value></node> + </node> + </node> + <node>TYR-M + <node>Properties + <node>C_TERMINAL</node> + <node>N_TERMINAL</node> + </node> + </node> + <node>TYR-C + <node>Delete + <node>1H</node> + <node>2H</node> + </node> + <node>Rename + <node>3H<value>H</value></node> + </node> + <node>Properties + <node>C_TERMINAL</node> + </node> + </node> + <node>TYR-N + <node>Delete + <node>OXT</node> + </node> + <node>Properties + <node>N_TERMINAL</node> + </node> + </node> + </node> +</node>