atom.type¶
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
| Attribute | Value |
|---|---|
| source | Amber topology atom type section |
| id | atom.type |
| name | Amber topology atom type section |
| pattern | \s*%FLAG AMBER_ATOM_TYPE.* |
| endPattern | .*\S\s*$%.* |
| endPattern2 | ~ |
| endOffset | 1 |
| xml:base | sections/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
<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
<record repeat="2" />
<record repeat="*">{1_20A,am:atomType}</record>
<transform process="joinArrays" xpath=".//cml:array" />
<transform process="pullup" xpath=".//cml:array" />
<transform process="delete" xpath=".//cml:list" />