Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/data/fragments/CYS.db @ 18:026f5a483650 draft default tip
Deleted selected files
| author | marcel |
|---|---|
| date | Sun, 30 Nov 2014 03:47:45 -0500 |
| parents | 25a03362403c |
| children |
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--- a/CADDSuite-1.6/data/fragments/CYS.db Sat Dec 15 13:10:41 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,123 +0,0 @@ -<node>CYS - <node>Names - <node>Cysteine</node> - <node>Cystein</node> - <node>Cys</node> - <node>C</node> - </node> - <node>Atoms - <node>N<value>N 0.02405081 1.288152 -0.04523527</value></node> - <node>3H<value>H 0.9139157 1.764642 0.02587458</value></node> - <node>CA<value>C -0.7231978 1.84877 -1.18869</value></node> - <node>HA<value>H -0.1383485 1.663318 -2.090963</value></node> - <node>C<value>C -0.8891953 3.364114 -1.049031</value></node> - <node>O<value>O 0.1143772 4.039036 -1.368143</value></node> - <node>CB<value>C -2.074845 1.154028 -1.367605</value></node> - <node>1HB<value>H -1.930864 0.09969049 -1.603445</value></node> - <node>2HB<value>H -2.672614 1.244251 -0.4604313</value></node> - <node>SG<value>S -2.936402 1.968095 -2.733035</value></node> - <node>HG<value>H -4.084388 1.292503 -2.621688</value></node> - <node>1H<value>H -0.5030248 1.428972 0.8047693</value></node> - <node>2H<value>H 0.1769028 0.3003187 -0.1898637</value></node> - <node>OXT<value>O -1.790595 3.760744 -0.2774832</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>SG CB s</value></node> - <node>25<value>HG SG s</value></node> - <node>28<value>1H N s</value></node> - <node>29<value>2H N s</value></node> - <node>30<value>OXT C 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>S-term<value>SG S-term s 2.05 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>CYS-M - <node>Properties - <node>C_TERMINAL</node> - <node>N_TERMINAL</node> - </node> - </node> - <node>CYS-N - <node>Delete - <node>OXT</node> - </node> - <node>Properties - <node>N_TERMINAL</node> - </node> - </node> - <node>CYS-S - <node>Delete - <node>OXT</node> - <node>1H</node> - <node>2H</node> - <node>HG</node> - </node> - <node>Rename - <node>3H<value>H</value></node> - </node> - <node>Properties - <node>HAS_SSBOND</node> - </node> - </node> - <node>CYS-CS - <node>Delete - <node>1H</node> - <node>2H</node> - <node>HG</node> - </node> - <node>Rename - <node>3H<value>H</value></node> - </node> - <node>Properties - <node>C_TERMINAL</node> - <node>HAS_SSBOND</node> - </node> - </node> - <node>CYS-NS - <node>Delete - <node>OXT</node> - <node>HG</node> - </node> - <node>Properties - <node>N_TERMINAL</node> - <node>HAS_SSBOND</node> - </node> - </node> - <node>CYS-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> -</node>