Hi JD, Sorry, there is no surfnet command. Perhaps it can be done with python, but one of the other developers would have to reply about that. Best, Elaine On Dec 15, 2009, at 12:26 AM, Jean Didier Pie Marechal wrote: > Dear All, > is there a command line equivalent for surfnet applied to atom > selection (not interfase)? > Best, > JD >