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License: Apache License 2.0
Now renamed as Kemia
License: Apache License 2.0
Phenyl ring, hexane, pentane, single bond, double bond, eraser tool, select/highlight tool, text tool, common atoms in organic molecules: C, N, O, S, P, F, Cl, Br. --> and "+"
fullerene c60, say: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123591
based on google closure editor demo code.
We need more smiles strings to test against our parser
I'll do this and write up directions for running in node and ringoJs
create 2d coordinate generator
see mol_demo.html for examples, i.e. buckyball
A user should be able to choose from a small drop down list of options to either save their file to the server using our JSON or, if offline, save the file in Rxn or Mol format
alternatively, can click toolbar button to display periodic table for element selection
clean console to fix IE8&Firefox bug
extract from mol_demo
for example: user draws two benzene molecules (from template perhaps), then drags one close enough to the other that two atoms on one molecule overlap (within some tolerance distance) with the other, the resulting merge creates a napthalene. Napthalene provides additional challenge to get the double-bond rendering correct which is probably a separate issue from merging.
GUI should provide user feedback to make this operation reasonably intuitive.
font issue on chrome&firefox
Structure display should allow selected atoms to be colored in order to highlight them, for example to show results of a substructure search, or atoms contributing to some computation.
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