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This script is used to convert a gaussian cartesian representation into xyz format to be read by pybel. Input: TrainingSet.log Output: output.txt [email protected] Jun-3-2016
| Name | Name | Last commit date | ||
|---|---|---|---|---|
This script is used to convert a gaussian cartesian representation into xyz format to be read by pybel. Input: TrainingSet.log Output: output.txt [email protected] Jun-3-2016