--- a/CADDSuite/suite_config.xml	Tue Jun 07 16:43:30 2011 -0400
+++ b/CADDSuite/suite_config.xml	Sun Jun 26 13:45:14 2011 -0400
@@ -1,112 +1,117 @@
-<suite id="CADDSuite_Linux_x86_64" name="CADDSuite (Linux x86-64)" version="0.93">
+<suite id="CADDSuite_toolsuite" name="CADDSuite" version="0.94">
 
 <description>
 CADDSuite: A flexible and open framework for Computer-Aided Drug Design
 </description>
-
-<tool id="antitargetrescorer" name="AntitargetRescorer" version="0.93">
+<tool id="cadds_upload" name="Upload File" version="1.1.2">
+    <description>from your computer</description>
+</tool>
+<tool id="antitargetrescorer" name="AntitargetRescorer" version="0.94">
     <description>rescore w/ anti-target dock-results</description>
 </tool>
-<tool name="Upload File" id="upload1" version="1.1.2">
-<description>upload a file from your computer</description>
-</tool>
-<tool id="bindingdbcleaner" name="BindingDBCleaner" version="0.93">
+<tool id="bindingdbcleaner" name="BindingDBCleaner" version="0.94">
     <description>fix bindingdb.org downloads</description>
 </tool>
-<tool id="combilibgenerator" name="CombiLibGenerator" version="0.93">
+<tool id="combilibgenerator" name="CombiLibGenerator" version="0.94">
     <description>generate combinatorial lib</description>
 </tool>
-<tool id="constraintsfinder" name="ConstraintsFinder" version="0.93">
+<tool id="constraintsfinder" name="ConstraintsFinder" version="0.94">
     <description>find strongly interacting residues</description>
 </tool>
-<tool id="converter" name="Converter" version="0.93">
+<tool id="converter" name="Converter" version="0.94">
     <description>interconvert molecular file-formats</description>
 </tool>
-<tool id="dbexporter" name="DBExporter" version="0.93 (ob)">
+<tool id="dbexporter" name="DBExporter" version="0.94 (ob)">
     <description>export molecules from data base</description>
 </tool>
-<tool id="dbimporter" name="DBImporter" version="0.93 (ob)">
+<tool id="dbimporter" name="DBImporter" version="0.94 (ob)">
     <description>import molecules into data base</description>
 </tool>
-<tool id="dockresultmerger" name="DockResultMerger" version="0.93">
+<tool id="dockresultmerger" name="DockResultMerger" version="0.94">
     <description>merge docking output files</description>
 </tool>
-<tool id="evensplit" name="EvenSplit" version="0.93">
+<tool id="evensplit" name="EvenSplit" version="0.94">
     <description>generate splits w/ equal property range</description>
 </tool>
-<tool id="galaxyconfiggenerator" name="GalaxyConfigGenerator" version="0.93">
+<tool id="galaxyconfiggenerator" name="GalaxyConfigGenerator" version="0.94">
     <description>generate galaxy tool-config files</description>
 </tool>
-<tool id="gridbuilder" name="GridBuilder" version="0.93">
+<tool id="gridbuilder" name="GridBuilder" version="0.94">
     <description>create score-grids for docking</description>
 </tool>
-<tool id="imeedydock" name="IMeedyDock" version="0.93">
+<tool id="imeedydock" name="IMGDock" version="0.94">
     <description>Iterative Multi-Greedy Docking</description>
 </tool>
-<tool id="ligcheck" name="LigCheck" version="0.93">
+<tool id="interactionconstraintdefiner" name="InteractionConstraintDefiner" version="0.94">
+    <description>define interaction constraint</description>
+</tool>
+<tool id="ligcheck" name="LigCheck" version="0.94">
     <description>check molecules for errors</description>
 </tool>
-<tool id="ligand3dgenerator" name="Ligand3DGenerator" version="0.93">
+<tool id="ligand3dgenerator" name="Ligand3DGenerator" version="0.94">
     <description>generate 3D coordinates for small molecules</description>
 </tool>
-<tool id="ligandfilesplitter" name="LigandFileSplitter" version="0.93">
+<tool id="ligandfilesplitter" name="LigandFileSplitter" version="0.94">
     <description>split molecule files</description>
 </tool>
-<tool id="molcombine" name="MolCombine" version="0.93">
+<tool id="molcombine" name="MolCombine" version="0.94">
     <description>combine molecular files</description>
 </tool>
-<tool id="moldepict" name="MolDepict" version="0.93">
+<tool id="moldepict" name="MolDepict" version="0.94">
     <description>create structure diagrams</description>
 </tool>
 <tool id="molfilter" name="MolFilter" version="0.9">
     <description>filter molecule files</description>
 </tool>
-<tool id="pdbcutter" name="PDBCutter" version="0.93">
+<tool id="pdbcutter" name="PDBCutter" version="0.94">
     <description>separate ligand and receptor</description>
 </tool>
-<tool id="pdbdownload" name="PDBDownload" version="0.93">
+<tool id="pdbdownload" name="PDBDownload" version="0.94">
     <description>retrieve pdb-file from pdb.org</description>
 </tool>
-<tool id="partialchargescopy" name="PartialChargesCopy" version="0.93">
+<tool id="partialchargescopy" name="PartialChargesCopy" version="0.94">
     <description>transfer part. charges between files</description>
 </tool>
-<tool id="pocketdetector" name="PocketDetector" version="0.93">
+<tool id="pocketdetector" name="PocketDetector" version="0.94">
     <description>detect binding pocket</description>
 </tool>
-<tool id="propertymodifier" name="PropertyModifier" version="0.93">
+<tool id="propertymodifier" name="PropertyModifier" version="0.94">
     <description>modify molecule property tags</description>
 </tool>
-<tool id="propertyplotter" name="PropertyPlotter" version="0.93">
+<tool id="propertyplotter" name="PropertyPlotter" version="0.94">
     <description>plot molecule properties</description>
 </tool>
-<tool id="proteincheck" name="ProteinCheck" version="0.93">
+<tool id="proteincheck" name="ProteinCheck" version="0.94">
     <description>quality check for proteins structures</description>
 </tool>
-<tool id="proteinprotonator" name="ProteinProtonator" version="0.93">
+<tool id="proteinprotonator" name="ProteinProtonator" version="0.94">
     <description>protonate protein structures</description>
 </tool>
-<tool id="rmsdcalculator" name="RMSDCalculator" version="0.93">
+<tool id="rmsdcalculator" name="RMSDCalculator" version="0.94">
     <description>calculate RMSD between poses</description>
 </tool>
-<tool id="scoreanalyzer" name="ScoreAnalyzer" version="0.93">
+<tool id="scoreanalyzer" name="ScoreAnalyzer" version="0.94">
     <description>generate ROC or enrichment plots</description>
 </tool>
 <tool id="similarityanalyzer" name="SimilarityAnalyzer" version="0.9">
     <description>analyze similarity between molecule files</description>
 </tool>
-<tool id="simplerescorer" name="SimpleRescorer" version="0.93">
+<tool id="simplerescorer" name="SimpleRescorer" version="0.94">
     <description>rescore docking results</description>
 </tool>
-<tool id="tagres-train" name="TaGRes-train" version="0.93">
+<tool id="spatialconstraintdefiner" name="SpatialConstraintDefiner" version="0.94">
+    <description>define spatial constraint</description>
+</tool>
+<tool id="tagres-train" name="TaGRes-train" version="0.94">
     <description>Target-specific Grid-Rescoring, training</description>
 </tool>
-<tool id="tagres" name="TaGRes" version="0.93">
+<tool id="tagres" name="TaGRes" version="0.94">
     <description>Target-specific Grid-Rescoring</description>
 </tool>
-<tool id="vendorfinder" name="VendorFinder" version="0.93">
+<tool id="vendorfinder" name="VendorFinder" version="0.94">
     <description>search vendors for compounds</description>
 </tool>
-<tool id="waterfinder" name="WaterFinder" version="0.93">
+<tool id="waterfinder" name="WaterFinder" version="0.94">
     <description>find strongly bound waters</description>
 </tool>
 <tool id="automodel" name="AutoModel" version="1.1">