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diff CADDSuite/data/fragments/ASP.db @ 0:bac3c274238f

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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
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite/data/fragments/ASP.db	Tue Jun 07 16:43:30 2011 -0400
@@ -0,0 +1,86 @@
+<node>ASP
+	<node>Names
+		<node>Aspartate</node>
+		<node>Aspartat</node>
+		<node>Asp</node>
+		<node>D</node>
+	</node>
+	<node>Atoms
+		<node>N<value>N 0.1006113 1.231053 -0.1065504</value></node>
+		<node>3H<value>H 0.7826706 1.919109 0.1901606</value></node>
+		<node>CA<value>C -0.6776782 1.854581 -1.196471</value></node>
+		<node>HA<value>H -0.140641 1.67647 -2.129506</value></node>
+		<node>C<value>C -0.7684437 3.377808 -1.00658</value></node>
+		<node>O<value>O -0.1755398 3.814352 0.008837678</value></node>
+		<node>CB<value>C -2.059715 1.201639 -1.304611</value></node>
+		<node>1HB<value>H -1.947421 0.1437317 -1.541582</value></node>
+		<node>2HB<value>H -2.583309 1.296861 -0.3531539</value></node>
+		<node>CG<value>C -2.895658 1.868856 -2.384729</value></node>
+		<node>OD1<value>O -2.861295 1.365629 -3.526181</value></node>
+		<node>OD2<value>O -3.508188 2.905267 -2.052321</value></node>
+		<node>OXT<value>O -0.9198192 4.048685 -2.051676</value></node>
+		<node>1H<value>H -0.5109496 1.02733 0.6709606</value></node>
+		<node>2H<value>H 0.5472904 0.3836241 -0.4264945</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>OD1 CG a</value></node>
+		<node>25<value>OD2 CG a</value></node>
+		<node>26<value>OXT C s</value></node>
+		<node>27<value>1H N s</value></node>
+		<node>28<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>ASP-M
+			<node>Properties
+				<node>N_TERMINAL</node>
+				<node>C_TERMINAL</node>
+			</node>
+		</node>
+		<node>ASP-N
+			<node>Delete
+				<node>OXT</node>
+			</node>
+			<node>Properties
+				<node>N_TERMINAL</node>
+			</node>
+		</node>
+		<node>ASP-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>