Miguel wrote:
Q: If you could position the axes at an arbitrary point, how far would the
axes extend in the +/- directions?
Q: ... to the faces of the boundbox?
The same holds for a pmesh plane, for instance a mirror plane, which I'd
like to extend beyond the atoms that define it.
I experimented with a script that, given the coordinates of three atoms
(or center between two atoms), calculates the points where this plane
intersects the boundbox axes, plus or minus a margin value.
It works, but it requires some post-processing by hand, because in the
pmesh definition the order of the points matters. I didn't start
thinking how a script could solve that.
And sometimes one gets five points, the pmesh definition doesn't seem to
accept more than four though.
(Does anyone know, is that a real limitation?)
Example: http://cheminf.cmbi.ru.nl/wetche/organic/stereo/mjones/ringsj.html
Click on compounds A and B plane links.
Regards,
Hens
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