# HG changeset patch
# User chemteam
# Date 1570466028 14400
# Node ID 1fec6d846b481acf890a27bdf87dc69564727ac7
# Parent  72e012c35199ec6c30e96b616e564e19753bd9e7
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"

diff -r 72e012c35199 -r 1fec6d846b48 antechamber.xml
--- a/antechamber.xml	Thu Jun 13 06:14:34 2019 -0400
+++ b/antechamber.xml	Mon Oct 07 12:33:48 2019 -0400
@@ -1,5 +1,5 @@
 <tool id="ambertools_antechamber" name="AnteChamber" version="@VERSION@">
-  <description>Amber's molecular input file processor</description>
+  <description>- Amber's molecular input file processor</description>
   <macros>
     <import>macros.xml</import>
   </macros>
@@ -30,7 +30,9 @@
     <section name="allparams" title="General Parameters" expanded="true">
       <param name="nc" type="integer" value="0" label="Net charge" min="-50" max="50" help="Specify the net charge for the molecule. Default is 0. (-nc)"/>
       <param name="m" type="integer" value="1" label="Multiplicity" min="1" max="10" help="Multiplicity, 2S+1. Default is 1. (-m)"/>
-      <param name="resname" type="text" value="MOL" label="Residue name" help="From 1-3 characters allowed. Default is MOL. (-rn)"/>
+      <param name="resname" type="text" value="MOL" label="Residue name" help="From 1-3 characters allowed. Default is MOL. (-rn)">
+        <validator type="regex" message="Maximum of 3 characters allowed.">^[a-zA-Z0-9]{1,3}$</validator>
+      </param>
       <param name="c" type="select" label="Charge method" help="Charge method to use for the calculations. AM1-BCC or RESP recommended (-c)">
         <option value="resp">RESP</option>
         <option selected="True" value="bcc">AM1-BCC</option>
@@ -57,8 +59,8 @@
       </param>
     </section>
     <section name="extraparams" title="Additional Parameters" expanded="false">
-      <param name="pf" type="boolean" checked="true" truevalue="yes" falsevalue="no" label="remove intermediate files (recommended)" help="(-pf)"/>
-      <param name="usenc" type="boolean" checked="true" truevalue="True" falsevalue="False" label="use netcharge (recommended)" help="Can choose to let the charge be inferred by setting this to False."/>
+      <param name="pf" type="boolean" checked="true" truevalue="yes" falsevalue="no" label="Remove intermediate files (recommended)" help="(-pf)"/>
+      <param name="usenc" type="boolean" checked="true" truevalue="True" falsevalue="False" label="Use net charge (recommended)" help="Can choose to let the charge be inferred by setting this to False."/>
     </section>
   </inputs>
   <outputs>
@@ -107,13 +109,13 @@
 
 **What it does**
 
-Antechamber sets up parameters for the input molecules provided.
+Antechamber sets up Amber parameters for the input molecules provided.
 
 .. class:: infomark
 
 **How it works**
 
-- Select an input file (PDB, mol2)
+- Select an input file (mol2, PDB)
 - Specify the correct charge, or keep the default charge of 0
 - Adjust other parameters as needed.
 - Click on Execute
diff -r 72e012c35199 -r 1fec6d846b48 macros.xml
--- a/macros.xml	Thu Jun 13 06:14:34 2019 -0400
+++ b/macros.xml	Mon Oct 07 12:33:48 2019 -0400
@@ -1,5 +1,5 @@
 <macros>
-  <token name="@VERSION@">19.0</token>
+  <token name="@VERSION@">19.0.1</token>
   <xml name="requirements">
     <requirements>
       <requirement type="package" version="19.0">ambertools</requirement>