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Simultaneous superimposed display in Avogadro


#1

A *.mol2 file may accomodate more than a single discrete structure. By structre I refer to the complete ensemble following

@MOLECULE
ABCDEF
273 300 3 0 0
SMALL
NO_CHARGES


Generated from the CSD

@ATOM

till a new block starts. (ABCDEF is a placeholder for the structure codes the CSD Database uses.) While my currently accesible installation [1] allows individual display of either one, or an other structure, is there a way to display for example two complete data sets at once? Like, for analogy, after alignment by pymol (example) where the two structures maintain their original (and individual) set of atom connectivity?

This approach intentionally differs from copy-pasting one structure into an other, and subsequent manual alignment of the two.

[1] Avogadro 1.2.0, Windows 7, 32 Bit. Changing in favour to Avogadro^2 currently is not an option.

Added after posting: The interface omits the display of “.le.TRIPOS.ge.” (replace .le. by the less sign, .ge. by the greater sign) inside the block quote.


#2

While I understand what you want, I’m not sure I understand why copy/paste isn’t an acceptable workaround?

Or are you saying that you want an Avogadro version of the Pymol Align command?