Modar internal command:

 defGroup/defcls/defDomain

To define an atoms group/cluster to later usage in other commands. It’s strongly recommended to define the groups outside a while loop if some commands need selection inside a while loop.

  • Syntax and examples

    # to define a atoms group for further usage

    defgroup protein select=”segn proa”


  • Keywords

    name=<group name>

    To give a name to the atoms selection, the keryword "name=" can be omitted

    Select=<select expr>

    Select expression

    Infile=<file name>

    Loading selection from a “.ndx” file

    Outfile=<file name>

    Save selection to a “.ndx” file


  • Variables exported

    Nasel

    Number of atoms selected


 

 

 

 

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