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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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