Mercurial > repos > bgruening > eden_toolbox

changeset 1:64a1fb09b10d draft

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Uploaded
author bgruening
date Wed, 04 Sep 2013 07:59:08 -0400
parents 99091a5d5c84
children a3edc97e056c
files EDeN_feature.xml tool_dependencies.xml
diffstat 2 files changed, 4 insertions(+), 4 deletions(-) [+]
line wrap: on
line diff
--- a/EDeN_feature.xml	Wed Sep 04 05:10:04 2013 -0400
+++ b/EDeN_feature.xml	Wed Sep 04 07:59:08 2013 -0400
@@ -14,10 +14,10 @@
         #set $temp_gspan = $temp_gspan.name
 
         #if $file_type_opts.file_type_opts_selector == 'sdf':
-            obabel -i sdf -o sdf $infile | \$EDEN_SCRIPT_PATH/mol2gspan.py --infile - --outfile $temp_gspan
+            obabel -i sdf -o sdf $infile | python \$EDEN_SCRIPT_PATH/mol2gspan.py --infile - --outfile $temp_gspan
             #set $file_type = 'GRAPH'
         #elif $file_type_opts.file_type_opts_selector == 'smi':
-            obabel -i smi -o sdf $infile | \$EDEN_SCRIPT_PATH/mol2gspan.py --infile - --outfile $temp_gspan
+            obabel -i smi -o sdf $infile | python \$EDEN_SCRIPT_PATH/mol2gspan.py --infile - --outfile $temp_gspan
             #set $file_type = 'GRAPH'
         #else:
             #set $temp_gspan = $infile
@@ -92,7 +92,7 @@
             help="File can contain molecule data types (SMILES, InChI, SDF) or Graph datatypes (gSpan, sparse vector, sequence)."/>
 
         <conditional name="file_type_opts">
-            <param name="file_type_opts_selector" type="select" display="radio" label="Type of Input file">
+            <param name="file_type_opts_selector" type="select" label="Type of Input file">
                 <option value="GRAPH">Graph</option>
                 <option value="SPARSE_VECTOR">sparse vector</option>
                 <option value="SEQUENCE">Sequence</option>
--- a/tool_dependencies.xml	Wed Sep 04 05:10:04 2013 -0400
+++ b/tool_dependencies.xml	Wed Sep 04 07:59:08 2013 -0400
@@ -4,6 +4,6 @@
         <repository changeset_revision="7601c962048a" name="package_openbabel_2_3" owner="iuc" toolshed="http://testtoolshed.g2.bx.psu.edu" />
     </package>
     <set_environment version="1.0">
-        <environment_variable action="set_to" name="EDEN_SCRIPT_PATH">$REPOSITORY_INSTALL_DIR/scripts</environment_variable>
+        <environment_variable action="set_to" name="EDEN_SCRIPT_PATH">$REPOSITORY_INSTALL_DIR</environment_variable>
     </set_environment>
 </tool_dependency>