amber.parm ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
Template attributes ​
| Attribute | Value |
|---|---|
| source | Amber topology |
| id | amber.parm |
| name | Amber topology |
| xml:base | topTemplate.xml |
Comment ​
%VERSION VERSION_STAMP = V0001.000 DATE = 02/11/21 10:35:18
%FLAG TITLE
%FORMAT(20a4)
default_name
%FLAG POINTERS
%FORMAT(10I8)
7628 13 7581 55 75 93 108 187 0 0
10549 2517 55 93 187 38 84 27 21 1
0 0 0 0 0 0 0 2 82 0
0
%FLAG ATOM_NAME
%FORMAT(20a4)
ZN O O1 O2 O3 O4 O5 N N1 N2 N3 C C1 C2 C3 C4 C5 C6 C7 C8
C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 C28
C29 C30 C31 C32 C33 C34 C35 H H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12
...
...
...
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01
%FLAG IPOL
%FORMAT(1I8)
0
Template definition ​
xml
<templateList> <xi:include href="JUMBO_HOME/jumbo-converters-compchem/jumbo-converters-compchem-amber/src/main/resources/org/xmlcml/cml/converters/compchem/amber/topology/templates/sections/atomic.number.xml" /> <xi:include href="JUMBO_HOME/jumbo-converters-compchem/jumbo-converters-compchem-amber/src/main/resources/org/xmlcml/cml/converters/compchem/amber/topology/templates/sections/atom.type.xml" /> <xi:include href="JUMBO_HOME/jumbo-converters-compchem/jumbo-converters-compchem-amber/src/main/resources/org/xmlcml/cml/converters/compchem/amber/topology/templates/sections/residue.xml" /> <xi:include href="JUMBO_HOME/jumbo-converters-compchem/jumbo-converters-compchem-amber/src/main/resources/org/xmlcml/cml/converters/compchem/amber/topology/templates/sections/residue.pointer.xml" />
</templateList>