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atom.type ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceAmber topology atom type section
idatom.type
nameAmber topology atom type section
pattern\s*%FLAG AMBER_ATOM_TYPE.*
endPattern.*\S\s*$%.*
endPattern2~
endOffset1
xml:basesections/atom.type.xml

Input ​

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
M1  o   os  o   os  o   oh  Y1  Y2  Y3  Y4  c3  c3  ce  cf  c3  cf  c3  c3  cd  
cd  c   c3  cf  cc  c   cc  cc  c   c3  cf  cc  cd  cd  cd  cd  c3  cc  cc  cf  
c3  c3  cf  c3  c3  c2  c3  hc  hc  hc  hc  hc  hc  hc  hc  hc  ha  hc  hc  hc  
ha  hc  hc  hc  ha  h1  h1  h1  hc  hc  ha  hc  hc  hc  hc  hc  hc  ha  ha  h1  
h1  h1  ho  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  
OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  
OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  
%FLAG TREE_CHAIN_CLASSIFICATION

Output text ​

xml
<comment class="example.output" id="atom.type">
        <module cmlx:templateRef="atom.type">
            <array dataType="xsd:string" delimiter="|" dictRef="am:atomType" size="7628">M1|o|os|o|os|o|oh|Y1|Y2|Y3|Y4|c3|c3|ce|cf|c3|cf|c3|c3|cd|cd|c|c3|cf|cc|c|cc|cc|c|c3|cf|cc|cd|cd|cd|cd|c3|cc|cc|cf|c3|c3|cf|c3|c3|c2|c3|hc|hc|hc|hc|hc|hc|hc|hc|hc|ha|hc|hc|hc|ha|hc|hc|hc|ha|h1|h1|h1|hc|hc|ha|hc|hc|hc|hc|hc|hc|ha|ha|h1|h1|h1|ho|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW</array>
        </module>
   </comment>

Template definition ​

xml
<record repeat="2" />
<record repeat="*">&#123;1_20A,am:atomType&#125;</record>
<transform process="joinArrays" xpath=".//cml:array" />
<transform process="pullup" xpath=".//cml:array" />
<transform process="delete" xpath=".//cml:list" />