Hi all,
is there a way to set atom coordinates by a command?
setattr spec atoms coord value
appears to accept only one double argument and sets x, y, and z to this number. Neither space-separated nor comma-separate lists of three values appear to work.
Kind regards
Gunnar
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Prof. Dr. Gunnar Jeschke
ETH Zurich
Department of Chemistry and Applied Biosciences
Vladimir-Prelog-Weg 2
CH-8093 Zurich Switzerland
www.epr.ethz.ch_______________________________________________
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