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2D Chemical Structure Layout and Rendering | ||||
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2D Chemical Structure Layout and Rendering | ||||
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OEDepictFixedCoordinates allows
finer grain control over user-specified layout by providing an optional
bfixed argument in addition to the exisiting afixed array.
This allows, for example, the ability for the user to specify how two
ring systems connected by a linking bond are laid out, but require the
function to orient them relative to one another.
mol2ps has been tweaked to
emit Encapsulated PostScript (EPSF) only for single page documents, and
to use regular PostScript for multiple page output. This avoids issues
with Apple's ``Preview'' application, which assumes that EPSF files
never have more than a single page. This change has the added benefit
of resulting in smaller PostScript files.
OEDepictFixedCoordinates where if the
first fixed atom had degree 1, the orientation of the original depiction
would get lost, even though the bond lengths and bond angles were
preserved.
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