amber.parm

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
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
<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>