Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.1/data/fragments/GLY.db @ 6:decca54699e3
Uploaded Version 1.1
author | marcel |
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date | Thu, 12 Jan 2012 11:07:03 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.1/data/fragments/GLY.db Thu Jan 12 11:07:03 2012 -0500 @@ -0,0 +1,76 @@ +<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>