From: Otis R. <ot...@ch...> - 2010-02-26 18:54:27
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Hello- I'm using a data statement to add a detached ethane to a model so that I can edit the ethane and add the subsequent substructure to the original model. This all works well within the context of the editors click callback routines. Subsequent clean-up or the new structure by "minimize" makes it clear that it would be nice to rotate the original model relative to the substructure prior to the substructure attachment. The minimize works best if the two fragments are in a chemically logical position prior to attachment. Is there any way to click/rotate the original structure independent of the substructure? Alternatively, can Jmol's left, right, back, front, top, bottom be applied to the original model independent of the new substructure? This latter approach could be used to put almost any atom in the original molecule close to a chemically logical attaching position of the substructure. -- Otis Rothenberger http://chemagic.org |