{"action":"created","comment":{"url":"https://api.github.com/repos/galaxycomputationalchemistry/galaxy-tools-compchem/pulls/comments/224953333","pull_request_review_id":164455677,"id":224953333,"node_id":"MDI0OlB1bGxSZXF1ZXN0UmV2aWV3Q29tbWVudDIyNDk1MzMzMw==","diff_hunk":"@@ -0,0 +1,124 @@\n+<tool id=\"md_converter\" name=\"MDTraj file converter\" version=\"1.9.1\">\n+    <macros>\n+        <xml name='traj' token_format='format'>\n+            <when value=\"@FORMAT@\">\n+                <param argument=\"input_file\" type=\"data\" format='@FORMAT@' label=\"@FORMAT@ input file for conversion\"/>\n+                <param argument=\"output_format\" type=\"select\" label=\"Output\">\n+                    <option value=\"trr\">TRR file</option>\n+                    <option value=\"xtc\">XTC file</option>\n+                    <option value=\"dcd\">DCD file</option>\n+                </param>\n+            </when>\n+        </xml>\n+        <xml name='str' token_format='format'>\n+            <when value=\"@FORMAT@\">\n+                <param argument=\"input_file\" type=\"data\" format='@FORMAT@' label=\"@FORMAT@ input file for conversion\"/>\n+                <param argument=\"output_format\" type=\"select\" label=\"Output\">\n+                    <option value=\"gro\">GRO file</option>\n+                    <option value=\"pdb\">PDB file</option>\n+                </param>\n+            </when>\n+        </xml>\n+    </macros>\n+\n+    <description>- interconvert between MD trajectory or structure file formats.</description>\n+\n+    <requirements>\n+        <requirement type=\"package\" version=\"1.9.1\">mdtraj</requirement>\n+        <requirement type=\"package\" version=\"2018.2\">gromacs</requirement>\n+    </requirements>\n+\n+    <command detect_errors=\"exit_code\"><![CDATA[\n+\n+        #if $input.input_format == 'gro' or $input.input_format == 'pdb':\n+            ln -s '$input_file' ./input.$input.input_format &&\n+            gmx editconf -f ./input.$input.input_format -o ./output.${input.output_format} &&\n+            cp ./output.${input.output_format} $output\n+\n+        #else\n+            ln -s '$input_file' ./input.$input.input_format &&\n+            mdconvert ./input.$input.input_format -o ./output.${input.output_format} &&\n+            cp ./output.${input.output_format} $output\n+        \n+        #end if\n+\n+\n+    ]]></command>\n+    <inputs>\n+        <conditional name=\"input\">\n+            <param name=\"input_format\" type=\"select\" label=\"File format of input\">\n+                <option value=\"trr\">TRR file</option>\n+                <option value=\"xtc\">XTC file</option>\n+                <option value=\"dcd\">DCD file</option>\n+                <option value=\"pdb\">PDB file</option>\n+                <option value=\"gro\">GRO file</option>\n+            </param>\n+            \n+            <expand macro=\"traj\" format=\"trr\" />\n+            <expand macro=\"traj\" format=\"xtc\" />\n+       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use here the more explicit 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