# HG changeset patch
# User bgruening
# Date 1587819064 0
# Node ID a7b21f3ab19bdadb04cd63c68d9e17455ce365c4
# Parent  25028bc3a8fb9941cdf049b8410358ea68068f70
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"

diff -r 25028bc3a8fb -r a7b21f3ab19b rbcavity.xml
--- a/rbcavity.xml	Sat Apr 04 18:58:54 2020 +0000
+++ b/rbcavity.xml	Sat Apr 25 12:51:04 2020 +0000
@@ -1,7 +1,7 @@
 <tool id="rxdock_rbcavity" name="rxDock cavity definition" version="0.1">
     <description>- generate the active site definition needed for rxDock docking</description>
     <macros>
-        <import>rdock_macros.xml</import>
+        <import>rxdock_macros.xml</import>
     </macros>
     <expand macro="requirements"/>
     <command><![CDATA[
diff -r 25028bc3a8fb -r a7b21f3ab19b rdock_macros.xml
--- a/rdock_macros.xml	Sat Apr 04 18:58:54 2020 +0000
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,12 +0,0 @@
-<macros>
-    <xml name="citations">
-        <citations>
-            <citation type="doi">10.1371/journal.pcbi.1003571</citation>
-        </citations>
-    </xml>
-    <xml name="requirements">
-        <requirements>
-            <requirement type="package" version="2013.1.0_b93747f3">rxdock</requirement>
-        </requirements>
-    </xml>
-</macros>
diff -r 25028bc3a8fb -r a7b21f3ab19b rxdock_macros.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/rxdock_macros.xml	Sat Apr 25 12:51:04 2020 +0000
@@ -0,0 +1,12 @@
+<macros>
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1371/journal.pcbi.1003571</citation>
+        </citations>
+    </xml>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="2013.1.0_b93747f3">rxdock</requirement>
+        </requirements>
+    </xml>
+</macros>
diff -r 25028bc3a8fb -r a7b21f3ab19b test-data/receptor.prm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/receptor.prm	Sat Apr 25 12:51:04 2020 +0000
@@ -0,0 +1,3 @@
+RBT_PARAMETER_FILE_V1.00
+RECEPTOR_FILE receptor.mol2
+RECEPTOR_FLEX 3.0
diff -r 25028bc3a8fb -r a7b21f3ab19b test-data/wrong_receptor.prm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/wrong_receptor.prm	Sat Apr 25 12:51:04 2020 +0000
@@ -0,0 +1,3 @@
+RBT_PARAMETER_FILE_V1.00
+RECEPTOR_FILE a_terrible_mistake.mol2
+RECEPTOR_FLEX 3.0