<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
 <class>DockDialogData</class>
 <widget class="QDialog" name="DockDialogData">
  <property name="geometry">
   <rect>
    <x>0</x>
    <y>0</y>
    <width>552</width>
    <height>555</height>
   </rect>
  </property>
  <property name="sizePolicy">
   <sizepolicy hsizetype="Maximum" vsizetype="Fixed">
    <horstretch>0</horstretch>
    <verstretch>0</verstretch>
   </sizepolicy>
  </property>
  <property name="minimumSize">
   <size>
    <width>0</width>
    <height>0</height>
   </size>
  </property>
  <property name="maximumSize">
   <size>
    <width>650</width>
    <height>650</height>
   </size>
  </property>
  <property name="windowTitle">
   <string>Docking Options</string>
  </property>
  <layout class="QVBoxLayout">
   <property name="spacing">
    <number>6</number>
   </property>
   <property name="leftMargin">
    <number>9</number>
   </property>
   <property name="topMargin">
    <number>9</number>
   </property>
   <property name="rightMargin">
    <number>9</number>
   </property>
   <property name="bottomMargin">
    <number>9</number>
   </property>
   <item>
    <widget class="QTabWidget" name="tab_pages">
     <property name="currentIndex">
      <number>1</number>
     </property>
     <widget class="QWidget" name="general_page">
      <attribute name="title">
       <string>General</string>
      </attribute>
      <layout class="QVBoxLayout">
       <property name="spacing">
        <number>6</number>
       </property>
       <property name="leftMargin">
        <number>9</number>
       </property>
       <property name="topMargin">
        <number>9</number>
       </property>
       <property name="rightMargin">
        <number>9</number>
       </property>
       <property name="bottomMargin">
        <number>9</number>
       </property>
       <item>
        <widget class="QGroupBox" name="systems_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Docking Partners</string>
         </property>
         <layout class="QHBoxLayout">
          <property name="spacing">
           <number>6</number>
          </property>
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <item>
           <widget class="QComboBox" name="systems1">
            <property name="editable">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QComboBox" name="systems2">
            <property name="editable">
             <bool>false</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="algorithm_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Docking Algorithm</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="0" column="0">
           <widget class="QComboBox" name="algorithms">
            <item>
             <property name="text">
              <string>&lt;select&gt;</string>
             </property>
            </item>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QPushButton" name="alg_advanced_button">
            <property name="text">
             <string>Advanced...</string>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="scoring_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Scoring</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="0" column="0">
           <widget class="QComboBox" name="scoring_functions"/>
          </item>
          <item row="0" column="1">
           <widget class="QPushButton" name="scoring_advanced_button">
            <property name="enabled">
             <bool>false</bool>
            </property>
            <property name="text">
             <string>Advanced...</string>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="options_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Options</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="0" column="0">
           <widget class="QLabel" name="best_num_label">
            <property name="text">
             <string>number of best docked structures </string>
            </property>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QLineEdit" name="best_num">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="minimumSize">
             <size>
              <width>0</width>
              <height>0</height>
             </size>
            </property>
            <property name="maximumSize">
             <size>
              <width>80</width>
              <height>32767</height>
             </size>
            </property>
            <property name="text">
             <string>100</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="1" column="0">
           <widget class="QLabel" name="verbosity_label">
            <property name="text">
             <string>verbosity of algorithm</string>
            </property>
           </widget>
          </item>
          <item row="1" column="1">
           <widget class="QLineEdit" name="verbosity">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="maximumSize">
             <size>
              <width>80</width>
              <height>32767</height>
             </size>
            </property>
            <property name="text">
             <string>1</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="euler_group">
         <property name="enabled">
          <bool>true</bool>
         </property>
         <property name="sizePolicy">
          <sizepolicy hsizetype="Expanding" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Euler angles</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="1" column="2">
           <widget class="QLabel" name="psi_max_label">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="text">
             <string>psi &lt;font size=&quot;-1&quot;&gt;max&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="1" column="4">
           <widget class="QLabel" name="delta_psi_label">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="text">
             <string>delta psi</string>
            </property>
           </widget>
          </item>
          <item row="0" column="4">
           <widget class="QLabel" name="delta_phi_label">
            <property name="text">
             <string>delta phi</string>
            </property>
           </widget>
          </item>
          <item row="0" column="0">
           <widget class="QLabel" name="phi_min_label">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="text">
             <string>phi &lt;font size=&quot;-1&quot;&gt;min&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="0" column="2">
           <widget class="QLabel" name="phi_max_label">
            <property name="text">
             <string>phi &lt;font size=&quot;-1&quot;&gt;max&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="2" column="2">
           <widget class="QLabel" name="theta_max_label">
            <property name="text">
             <string>theta &lt;font size=&quot;-1&quot;&gt;max&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="1" column="0">
           <widget class="QLabel" name="psi_min_label">
            <property name="text">
             <string>psi &lt;font size=&quot;-1&quot;&gt;min&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QLineEdit" name="phi_min">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>-15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="1" column="1">
           <widget class="QLineEdit" name="psi_min">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>-15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="2" column="1">
           <widget class="QLineEdit" name="theta_min">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>-15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="0" column="3">
           <widget class="QLineEdit" name="phi_max">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="1" column="3">
           <widget class="QLineEdit" name="psi_max">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="2" column="3">
           <widget class="QLineEdit" name="theta_max">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>15</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="0" column="5">
           <widget class="QLineEdit" name="delta_phi">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="minimumSize">
             <size>
              <width>0</width>
              <height>0</height>
             </size>
            </property>
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>3</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="2" column="5">
           <widget class="QLineEdit" name="delta_theta">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>3</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="1" column="5">
           <widget class="QLineEdit" name="delta_psi">
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="text">
             <string>3</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="2" column="0">
           <widget class="QLabel" name="theta_min_label">
            <property name="text">
             <string>theta &lt;font size=&quot;-1&quot;&gt;min&lt;/font&gt;</string>
            </property>
           </widget>
          </item>
          <item row="2" column="4">
           <widget class="QLabel" name="delta_theta_label">
            <property name="text">
             <string>delta theta</string>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
      </layout>
     </widget>
     <widget class="QWidget" name="processor_page">
      <attribute name="title">
       <string>Processors</string>
      </attribute>
      <layout class="QVBoxLayout">
       <property name="spacing">
        <number>6</number>
       </property>
       <property name="leftMargin">
        <number>9</number>
       </property>
       <property name="topMargin">
        <number>9</number>
       </property>
       <property name="rightMargin">
        <number>9</number>
       </property>
       <property name="bottomMargin">
        <number>9</number>
       </property>
       <item>
        <widget class="QGroupBox" name="charges_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Charges Config File</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="1" column="0">
           <widget class="QRadioButton" name="charges_rules_button">
            <property name="minimumSize">
             <size>
              <width>110</width>
              <height>0</height>
             </size>
            </property>
            <property name="text">
             <string>by rules</string>
            </property>
           </widget>
          </item>
          <item row="0" column="0">
           <widget class="QRadioButton" name="charges_data_button">
            <property name="minimumSize">
             <size>
              <width>110</width>
              <height>0</height>
             </size>
            </property>
            <property name="text">
             <string>from table</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QLineEdit" name="charges_data_lineedit">
            <property name="text">
             <string>charges/PARSE.crg</string>
            </property>
           </widget>
          </item>
          <item row="1" column="1">
           <widget class="QLineEdit" name="charges_rules_lineedit">
            <property name="text">
             <string>solvation/PARSE.rul</string>
            </property>
            <property name="readOnly">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item row="0" column="2">
           <widget class="QPushButton" name="charges_data_browse">
            <property name="text">
             <string>Browse</string>
            </property>
           </widget>
          </item>
          <item row="1" column="2">
           <widget class="QPushButton" name="charges_rules_browse">
            <property name="text">
             <string>Browse</string>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="radii_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Radii Config File</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="1" column="1">
           <widget class="QLineEdit" name="radii_rules_lineedit">
            <property name="text">
             <string>solvation/PARSE.rul</string>
            </property>
            <property name="readOnly">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item row="1" column="2">
           <widget class="QPushButton" name="radii_rules_browse">
            <property name="text">
             <string>Browse</string>
            </property>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QLineEdit" name="radii_data_lineedit">
            <property name="text">
             <string>radii/PARSE.siz</string>
            </property>
           </widget>
          </item>
          <item row="0" column="2">
           <widget class="QPushButton" name="radii_data_browse">
            <property name="text">
             <string>Browse</string>
            </property>
           </widget>
          </item>
          <item row="0" column="0">
           <widget class="QRadioButton" name="radii_data_button">
            <property name="minimumSize">
             <size>
              <width>110</width>
              <height>0</height>
             </size>
            </property>
            <property name="maximumSize">
             <size>
              <width>110</width>
              <height>32767</height>
             </size>
            </property>
            <property name="text">
             <string>from table</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="1" column="0">
           <widget class="QRadioButton" name="radii_rules_button">
            <property name="minimumSize">
             <size>
              <width>110</width>
              <height>0</height>
             </size>
            </property>
            <property name="text">
             <string>by rules</string>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item>
        <widget class="QGroupBox" name="processors_group">
         <property name="sizePolicy">
          <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="title">
          <string>Processors</string>
         </property>
         <layout class="QGridLayout">
          <property name="leftMargin">
           <number>11</number>
          </property>
          <property name="topMargin">
           <number>11</number>
          </property>
          <property name="rightMargin">
           <number>11</number>
          </property>
          <property name="bottomMargin">
           <number>11</number>
          </property>
          <property name="spacing">
           <number>6</number>
          </property>
          <item row="0" column="1">
           <widget class="QCheckBox" name="build_bonds">
            <property name="text">
             <string>build Bonds</string>
            </property>
           </widget>
          </item>
          <item row="0" column="2">
           <widget class="QCheckBox" name="add_hydrogens">
            <property name="text">
             <string>addHydrogens</string>
            </property>
           </widget>
          </item>
          <item row="0" column="0">
           <widget class="QCheckBox" name="normalize_names">
            <property name="text">
             <string>normalize names</string>
            </property>
           </widget>
          </item>
          <item row="1" column="0">
           <widget class="QCheckBox" name="assign_charges">
            <property name="text">
             <string>assign charges</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="1" column="1">
           <widget class="QCheckBox" name="assign_radii">
            <property name="text">
             <string>assign radii</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
      </layout>
     </widget>
    </widget>
   </item>
   <item>
    <layout class="QHBoxLayout">
     <property name="spacing">
      <number>6</number>
     </property>
     <property name="leftMargin">
      <number>0</number>
     </property>
     <property name="topMargin">
      <number>0</number>
     </property>
     <property name="rightMargin">
      <number>0</number>
     </property>
     <property name="bottomMargin">
      <number>0</number>
     </property>
     <item>
      <widget class="QPushButton" name="ok_button">
       <property name="text">
        <string>OK</string>
       </property>
       <property name="default">
        <bool>true</bool>
       </property>
      </widget>
     </item>
     <item>
      <widget class="QPushButton" name="cancel_button">
       <property name="text">
        <string>Cancel</string>
       </property>
      </widget>
     </item>
     <item>
      <widget class="QPushButton" name="reset_button">
       <property name="text">
        <string>Reset</string>
       </property>
      </widget>
     </item>
    </layout>
   </item>
  </layout>
 </widget>
 <layoutdefault spacing="6" margin="11"/>
 <tabstops>
  <tabstop>tab_pages</tabstop>
  <tabstop>systems1</tabstop>
  <tabstop>systems2</tabstop>
  <tabstop>algorithms</tabstop>
  <tabstop>alg_advanced_button</tabstop>
  <tabstop>scoring_functions</tabstop>
  <tabstop>scoring_advanced_button</tabstop>
  <tabstop>best_num</tabstop>
  <tabstop>verbosity</tabstop>
  <tabstop>phi_min</tabstop>
  <tabstop>psi_min</tabstop>
  <tabstop>theta_min</tabstop>
  <tabstop>delta_psi</tabstop>
  <tabstop>phi_max</tabstop>
  <tabstop>theta_max</tabstop>
  <tabstop>psi_max</tabstop>
  <tabstop>delta_phi</tabstop>
  <tabstop>delta_theta</tabstop>
  <tabstop>ok_button</tabstop>
  <tabstop>cancel_button</tabstop>
  <tabstop>reset_button</tabstop>
  <tabstop>charges_data_button</tabstop>
  <tabstop>charges_data_lineedit</tabstop>
  <tabstop>charges_data_browse</tabstop>
  <tabstop>charges_rules_button</tabstop>
  <tabstop>charges_rules_lineedit</tabstop>
  <tabstop>charges_rules_browse</tabstop>
  <tabstop>radii_data_button</tabstop>
  <tabstop>radii_data_lineedit</tabstop>
  <tabstop>radii_data_browse</tabstop>
  <tabstop>radii_rules_button</tabstop>
  <tabstop>radii_rules_lineedit</tabstop>
  <tabstop>radii_rules_browse</tabstop>
  <tabstop>normalize_names</tabstop>
  <tabstop>build_bonds</tabstop>
  <tabstop>add_hydrogens</tabstop>
  <tabstop>assign_charges</tabstop>
  <tabstop>assign_radii</tabstop>
 </tabstops>
 <resources/>
 <connections/>
</ui>
