Difference between revisions of "Q-Chem output"

From Open Babel
Jump to: navigation, search
 
m
 
(2 intermediate revisions by 2 users not shown)
Line 3: Line 3:
 
  |mime=Undefined
 
  |mime=Undefined
 
  |url=http://www.q-chem.com/
 
  |url=http://www.q-chem.com/
  |notes=Import only, One record per input file
+
  |import=Yes, One record per input file
 +
|export=No
 +
|version=All
 +
|dimensionality=3D
 
  |options=
 
  |options=
 
<pre>
 
<pre>

Latest revision as of 04:21, 12 October 2007

Filename Extensions qcout
Chemical MIME Type Undefined
Specification URL http://www.q-chem.com/
Import Yes, One record per input file
Export No
Open Babel Version All

Options

        Read Options e.g. -as
        s  Output single bonds only
        b  Disable bonding entirely

Additional Comments