<!--This is a configuration file for the integration of a BALLSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
<tool id="crystalgenerator" name="X-Ray Crystal Generator" version="0.0.1" force_history_refresh="True"> 
		<description>Generates crystal packings for pdb structures</description>
		<command>/home/AH/nicste/PROMO/GALAXY/new/ballaxy-tools/build/CrystalGenerator
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if
#if str( $outfile ) != ''  and str( $outfile ) != 'None' :
   -o "$outfile"
#end if
#if str( $sg ) != ''  and str( $sg ) != 'None' :
   -sg "$sg"
#end if
#if str( $axis_a ) != ''  and str( $axis_a ) != 'None' :
   -axis_a "$axis_a"
#end if
#if str( $axis_b ) != ''  and str( $axis_b ) != 'None' :
   -axis_b "$axis_b"
#end if
#if str( $axis_c ) != ''  and str( $axis_c ) != 'None' :
   -axis_c "$axis_c"
#end if
#if str( $angle_alpha ) != ''  and str( $angle_alpha ) != 'None' :
   -angle_alpha "$angle_alpha"
#end if
#if str( $angle_beta ) != ''  and str( $angle_beta ) != 'None' :
   -angle_beta "$angle_beta"
#end if
#if str( $angle_gamma ) != ''  and str( $angle_gamma ) != 'None' :
   -angle_gamma "$angle_gamma"
#end if
#if str( $from_uc_a ) != ''  and str( $from_uc_a ) != 'None' :
   -from_uc_a "$from_uc_a"
#end if
#if str( $from_uc_b ) != ''  and str( $from_uc_b ) != 'None' :
   -from_uc_b "$from_uc_b"
#end if
#if str( $from_uc_c ) != ''  and str( $from_uc_c ) != 'None' :
   -from_uc_c "$from_uc_c"
#end if
#if str( $to_uc_a ) != ''  and str( $to_uc_a ) != 'None' :
   -to_uc_a "$to_uc_a"
#end if
#if str( $to_uc_b ) != ''  and str( $to_uc_b ) != 'None' :
   -to_uc_b "$to_uc_b"
#end if
#if str( $to_uc_c ) != ''  and str( $to_uc_c ) != 'None' :
   -to_uc_c "$to_uc_c"
#end if
 | tail -n 1
</command>
    <inputs>
      <param name="i" type="data" format="pdb" optional="false" label="input pdb file"/>
      <param name="sg" type="select" optional="false" label="maximal number of assignment solutions">
        <option value="P 1">P 1</option>
        <option value="I 4" selected="True">I 4</option>
      </param>
      <param name="axis_a" value="10." label="cell axis a" type="float" optional="true"/>
      <param name="axis_b" value="10." label="cell axis b" type="float" optional="true"/>
      <param name="axis_c" value="10." label="cell axis c" type="float" optional="true"/>

      <param name="angle_alpha" value="90." min="0." max="359." label= "cell angle alpha" type="float" optional="true"/>
      <param name="angle_beta" value="90." min="0." max="359." label="cell angle beta" type="float" optional="true"/>
      <param name="angle_gamma" value="90." min="0." max="359." label= "cell angle gamma" type="float" optional="true"/>

      <param name="from_uc_a" value="0" min="0" max="9" label="from unit cell index a" type="integer" optional="false"/>
      <param name="from_uc_b" value="0" min="0" max="9" label="from unit cell index b" type="integer" optional="false"/>
      <param name="from_uc_c" value="0" min="0" max="9" label="from unit cell index c" type="integer" optional="false"/>
      <param name="to_uc_a" value="0" min="0" max="9" label="to uni cell index a" type="integer" optional="false"/>
      <param name="to_uc_b" value="0" min="0" max="9" label="to uni cell index b" type="integer" optional="false"/>
      <param name="to_uc_c" value="0" min="0" max="9" label="to uni cell index c" type="integer" optional="false"/>

    </inputs>
    <outputs>
        <data name="outfile" format="pdb"/>
    </outputs>
		<help>Blubber</help>
</tool>



