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@johnmay
Last active December 5, 2015 13:13
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final SmilesParser smipar = new SmilesParser(SilentChemObjectBuilder.getInstance());
final DepictionGenerator dg = new DepictionGenerator().withMolTitle();
dg.depict(Arrays.asList(smipar.parseSmiles("[H]N1C([H])=C([H])C([H])=C1([H]) expl H (C4H5N)"),
smipar.parseSmiles("N1C=CC=C1 impl H (C4H5N)"),
smipar.parseSmiles("[N]1C([H])=C([H])C([H])=C([H])1 expl H rad (C4H4N)"),
smipar.parseSmiles("[N]1C=CC=C1 impl H rad (C4H4N)"),
smipar.parseSmiles("N1[C]=C([H])C([H])=C([H])1 expl H rad (C4H4N)"),
smipar.parseSmiles("N1[C]=CC=C1 impl H rad (C4H4N)")),
3, 2)
.writeTo("~/hdisplay.png");
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