Mercurial > repos > p.lucas > pdbselaltloc

changeset 4:8d7bcc5ab64c draft

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Uploaded
author p.lucas
date Thu, 06 May 2021 15:03:32 +0000
parents 5674353a3277
children 76b2d2b1707e
files pdbselaltloc_wrapper.xml
diffstat 1 files changed, 7 insertions(+), 6 deletions(-) [+]
line wrap: on
line diff
--- a/pdbselaltloc_wrapper.xml	Thu May 06 14:15:57 2021 +0000
+++ b/pdbselaltloc_wrapper.xml	Thu May 06 15:03:32 2021 +0000
@@ -2,11 +2,12 @@
   <description>Using pdb_selaltloc tool.</description>
   <command detect_errors="exit_code"><![CDATA[
     source /home/galaxy/data/_conda/bin/activate pdbtools;
-    pdb_selaltloc
-    #if $option
-     ${option}
+    pdb_selaltloc 
+    #if $option:
+      #set complete = '-'+str($option)
+      ${complete} 
     #end if;
-     '${input}' > '${output}';
+    '${input}' > '${output}';
     source /home/galaxy/data/_conda/bin/deactivate
   ]]></command>
   <inputs>
@@ -31,8 +32,8 @@
     python pdb_selaltloc.py [-<option>] <pdb file>
 
 Example:
-    python pdb_selaltloc.py 1CTF.pdb  # picks locations with highest occupancy
-    python pdb_selaltloc.py -A 1CTF.pdb  # picks alternate locations labelled 'A'
+    python pdb_selaltloc.py 1CTF.pdb     picks locations with highest occupancy
+    python pdb_selaltloc.py -A 1CTF.pdb  picks alternate locations labelled 'A'
 
 This program is part of the 'pdb-tools' suite of utilities and should not be
 distributed isolatedly. The 'pdb-tools' were created to quickly manipulate PDB