Difference between revisions of "Sybyl descriptor"

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m
 
Line 5: Line 5:
 
  |import=No
 
  |import=No
 
  |export=Yes
 
  |export=Yes
  |version=All
+
  |version=2.0.0 and later
 
  |dimensionality=3D
 
  |dimensionality=3D
 
  |options=
 
  |options=

Latest revision as of 12:33, 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 2.0.0 and later

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