Mercurial > repos > bgruening > eden_toolbox

diff EDeN_feature.xml @ 1:64a1fb09b10d draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author bgruening
date Wed, 04 Sep 2013 07:59:08 -0400
parents 99091a5d5c84
children a3edc97e056c
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>