Difference between revisions of "Sybyl descriptor"

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Line 3: Line 3:
 
  |mime=Undefined
 
  |mime=Undefined
 
  |url=http://dx.doi.org/10.1021/ci034207y
 
  |url=http://dx.doi.org/10.1021/ci034207y
  |notes=Export only
+
  |import=No
 +
|export=Yes
 +
|version=All
 +
|dimensionality=3D
 
  |options=
 
  |options=
 
<pre>
 
<pre>

Revision as of 11:27, 30 January 2006

Filename Extensions mpd
Chemical MIME Type Undefined
Specification URL http://dx.doi.org/10.1021/ci034207y
Import No
Export Yes
Open Babel Version All

Options

             [Molec_name]\t[atomtype];[layer]-[frequency]-[neighbour_type];     
       Options: e.g. -xnc
             n prefix molecule names with name of file 
             c use XML style separators instead 
             i use IDX atom types of babel internal 

Additional Comments