
9 Sep
2009
9 Sep
'09
5:57 a.m.
Dear All, I'm doing a script change the coordinates x,y,z for one molecule to move it using xformCoord coordinate system but my script doesn't work very well. My function looks like: atom.setCoord(a.coord()-0.1*(vector(x,y,z))) How can I write it in xformCoord? a.setCoord doesn't return to me xformCoord even if I write all the variables using xformCoord. In other words, I'm asking about the "translation" of the function atom.setCoord() in xformCoord coordinates. Thank You -- Elisabeth Ortega Carrasco Universitat Autónoma de Barcelona (Spain) eortega@klingon.uab.es