Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/data/fragments/GLY.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/GLY.db Sat Dec 15 13:10:41 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,76 +0,0 @@ -<node>GLY - <node>Names - <node>Glycine</node> - <node>Glycin</node> - <node>Gly</node> - <node>G</node> - </node> - <node>Atoms - <node>N<value>N 0.09000722 1.216287 -0.1108443</value></node> - <node>3H<value>H 0.8807056 1.803007 0.1270226</value></node> - <node>CA<value>C -0.6332095 1.869306 -1.215941</value></node> - <node>1HA<value>H -0.02850649 1.801736 -2.120623</value></node> - <node>2HA<value>H -1.579168 1.352425 -1.380715</value></node> - <node>C<value>C -0.8818576 3.344497 -0.910938</value></node> - <node>O<value>O 0.06351577 3.962237 -0.3713815</value></node> - <node>1H<value>H -0.5183882 1.138782 0.691625</value></node> - <node>2H<value>H 0.4027565 0.2984461 -0.3934918</value></node> - <node>OXT<value>O -1.901015 3.866009 -1.413833</value></node> - </node> - <node>Bonds - <node>5<value>3H N s</value></node> - <node>6<value>CA N s</value></node> - <node>10<value>1HA CA s</value></node> - <node>11<value>2HA CA s</value></node> - <node>12<value>C CA s</value></node> - <node>15<value>O C d</value></node> - <node>16<value>1H N s</value></node> - <node>17<value>2H N s</value></node> - <node>18<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> - <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>GLY-M - <node>Properties - <node>C_TERMINAL</node> - <node>N_TERMINAL</node> - </node> - </node> - <node>GLY-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>GLY-N - <node>Delete - <node>OXT</node> - </node> - <node>Properties - <node>N_TERMINAL</node> - </node> - </node> - </node> -</node>