Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite-1.6/data/fragments/GLY.db @ 17:25a03362403c draft
Uploaded
author | marcel |
---|---|
date | Sat, 15 Dec 2012 13:10:41 -0500 |
parents | |
children |
line wrap: on
line source
<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>