Difference between revisions of "Inlined MDL Molfile"
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== Inlined MDL Molfile == | == Inlined MDL Molfile == | ||
| + | This uses <code>inlineContents</code> tag with MOL-formatted data: | ||
<jmol> | <jmol> | ||
| Line 46: | Line 47: | ||
6 18 1 0 0 0 | 6 18 1 0 0 0 | ||
M END | M END | ||
| + | </inlineContents> | ||
| + | </jmolApplet> | ||
| + | </jmol> | ||
| + | (The MOL data above have normal line breaks.) | ||
| + | |||
| + | It can also be done with MOL data that has no newlines but has pipe characters instead: | ||
| + | |||
| + | <jmol> | ||
| + | <jmolApplet> | ||
| + | <size>150</size> | ||
| + | <color>bluetint</color> | ||
| + | <inlineContents>chair.mol|Conformational analysis|0| 18 18 0 0 0 1 V2000 | 1.6881 2.1572 -3.0193 C 0 0 0 0 0 | 2.1484 3.6217 -2.9797 C 0 0 0 0 0 | 2.9361 3.9126 -1.6942 C 0 0 0 0 0 | 2.0927 3.5769 -0.4557 C 0 0 0 0 0 | 1.6329 2.1120 -0.4898 C 0 0 0 0 0 | 0.8532 1.8102 -1.7778 C 0 0 0 0 0 | 2.5807 1.4887 -3.0652 H 0 0 0 0 0 | 1.0897 1.9711 -3.9430 H 0 0 0 0 0 | 1.2578 4.2927 -3.0282 H 0 0 0 0 0 | 2.7791 3.8474 -3.8727 H 0 0 0 0 0 | 3.8725 3.3053 -1.6844 H 0 0 0 0 0 | 3.2413 4.9861 -1.6685 H 0 0 0 0 0 | 1.2005 4.2467 -0.4224 H 0 0 0 0 0 | 2.6835 3.7700 0.4714 H 0 0 0 0 0 | 0.9957 1.8928 0.4002 H 0 0 0 0 0 | 2.5240 1.4426 -0.4294 H 0 0 0 0 0 | 0.5642 0.7322 -1.8031 H 0 0 0 0 0 | -0.0919 2.4039 -1.7878 H 0 0 0 0 0 | 1 2 1 0 0 0 | 1 6 1 1 0 0 | 1 7 1 0 0 0 | 1 8 1 6 0 0 | 2 3 1 1 0 0 | 2 9 1 0 0 0 | 2 10 1 6 0 0 | 3 4 1 1 0 0 | 3 11 1 0 0 0 | 3 12 1 0 0 0 | 4 5 1 0 0 0 | 4 13 1 0 0 0 | 4 14 1 1 0 0 | 5 6 1 6 0 0 | 5 15 1 1 0 0 | 5 16 1 0 0 0 | 6 17 1 0 0 0 | 6 18 1 0 0 0 |M END | ||
</inlineContents> | </inlineContents> | ||
</jmolApplet> | </jmolApplet> | ||
</jmol> | </jmol> | ||
Revision as of 19:56, 23 November 2010
Inlined MDL Molfile
This uses inlineContents tag with MOL-formatted data:
(The MOL data above have normal line breaks.)
It can also be done with MOL data that has no newlines but has pipe characters instead:
