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Open Babel 3.0.1 documentation
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Kinetics and Thermodynamics formats
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J. Cheminf.
2011
,
3
, 33
Table of Contents
ChemKin format (ck)
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Kinetics and Thermodynamics formats
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Thermo format (tdd, therm)
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ChemKin format (ck)
¶
Read Options
¶
-f
<file>
File with standard thermo data: default therm.dat
-z
Use standard thermo only
-L
Reactions have labels (Usually optional)
Write Options
¶
-s
Simple output: reactions only
-t
Do not include species thermo data
-0
Omit reactions with zero rates
Navigation
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previous
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Open Babel 3.0.1 documentation
»
Supported File Formats and Options
»
Kinetics and Thermodynamics formats
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