Virtual Computational Chemistry Laboratory

 

Input data Output results Example List of key words

 



NAMES

Keyword of Choice Type

Indicate if the first column of data set contains names.

The names can be any set of characters but they should not contain spaces and tabs. The names of data entries should be always in the first column.

off {0} -- names are absent
on {1} -- there are names

Example of names of data entries:

molecule_1
2
1
!@#%~`</?%^&&_{][_=-)_)
This_is_also_name
 

The default value is off. You can see example of data file with and without names in Input data.

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