Hi Mark,
On Sun, Jul 25, 2010 at 9:02 PM, xyz mjf xyz...@gmail.com wrote:
A colleague of mine has recently developed useful functionality such as
(2D) structure visualisation and sub structure searching, by linking MS
Excel to CDK.
Is there online info available on this product? Perhaps
On Mon, Jul 26, 2010 at 1:10 PM, Nick Vandewiele
nick.vandewi...@ugent.be wrote:
Hi,
cdk.tools.CDKHydrogenAdder provides an example on how to add implicit
hydrogens to an IAtomContainer.
However, when I copy-paste this into my Eclipse workbench, the line:
IteratorIAtom atoms =
Hi,
Rajarshi is right (but there is a small typo : there's a stray = in
the method call for atoms :)
It's an annoying feature of java that you have to choose between
iterators and iterable. Also, sadly molecules cannot be iterable for
both atoms and bonds, otherwise you could do for (IAtom atom
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