Hi JD, If you resort to Python, the following script should do it: from SurfNet import atoms_surfnet atoms_surfnet("your atom spec here") There are other arguments you could provide to atoms_surfnet() if you wanted non-default behavior. Have a look in SurfNet/base.py to see what they are. --Eric On Dec 15, 2009, at 8:10 AM, Elaine Meng wrote:
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
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