2mlt
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
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== 2mlt Jmol Demo == | == 2mlt Jmol Demo == | ||
| + | |||
| + | == CML File == | ||
<jmol> | <jmol> | ||
<jmolApplet> | <jmolApplet> | ||
| - | < | + | <size>150</size> |
| + | <color>red</color> | ||
| + | <inlineContents><![CDATA[<cml:molecule xmlns:cml="http://www.xml-cml.org/schema/cml2/core" title="chair.mol"> | ||
| + | <cml:metadataList title="generated automatically from Openbabel"> | ||
| + | <cml:metadata name="dc:creator" content="OpenBabel version 1-100.1"/> | ||
| + | <cml:metadata name="dc:description" content="Conversion of legacy filetype to CML"/> | ||
| + | <cml:metadata name="dc:identifier" content="Unknown"/> | ||
| + | <cml:metadata name="dc:content"/> | ||
| + | <cml:metadata name="dc:rights" content="unknown"/> | ||
| + | <cml:metadata name="dc:type" content="chemistry"/> | ||
| + | <cml:metadata name="dc:contributor" content="unknown"/> | ||
| + | <cml:metadata name="dc:creator" content="Openbabel V1-100.1"/> | ||
| + | <cml:metadata name="dc:date" content="Tue Jun 06 19:11:23 BST 2006"/> | ||
| + | <cml:metadata name="cmlm:structure" content="yes"/> | ||
| + | </cml:metadataList> | ||
| + | <cml:atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18" elementType="C C C C C C H H H H H H H H H H H H" formalCharge="0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x3="1.688100 2.148400 2.936100 2.092700 1.632900 0.853200 2.580700 1.089700 1.257800 2.779100 3.872500 3.241300 1.200500 2.683500 0.995700 2.524000 0.564200 -0.091900" y3="2.157200 3.621700 3.912600 3.576900 2.112000 1.810200 1.488700 1.971100 4.292700 3.847400 3.305300 4.986100 4.246700 3.770000 1.892800 1.442600 0.732200 2.403900" z3="-3.019300 -2.979700 -1.694200 -0.455700 -0.489800 -1.777800 -3.065200 -3.943000 -3.028200 -3.872700 -1.684400 -1.668500 -0.422400 0.471400 0.400200 -0.429400 -1.803100 -1.787800"/> | ||
| + | <cml:bondArray atomRef1="a1 a1 a1 a1 a2 a2 a2 a3 a3 a3 a4 a4 a4 a5 a5 a5 a6 a6" atomRef2="a2 a6 a7 a8 a3 a9 a10 a4 a11 a12 a5 a13 a14 a6 a15 a16 a17 a18" order="1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"/> | ||
| + | </cml:molecule>]]> | ||
| + | </inlineContents> | ||
</jmolApplet> | </jmolApplet> | ||
</jmol> | </jmol> | ||
| + | |||
| + | This inline example is of a datafile in XML format, but fully carried in a declared namespace of xmlns:cml="http://www.xml-cml.org/schema/cml2/core. In theory, this XML should be processable separately from e.g. the jmol default namespace. Does Mediawiki honour such namespaces? | ||
| + | |||
| + | The next example is the same datafile, but fully escaped. | ||
| + | |||
| + | <jmol> | ||
| + | <jmolApplet> | ||
| + | <size>150</size> | ||
| + | <color>orange</color> | ||
| + | <inlineContents><![CDATA[<cml:molecule xmlns:cml="http://www.xml-cml.org/schema/cml2/core" title="chair.mol"> | ||
| + | <cml:metadataList title="generated automatically from Openbabel"> | ||
| + | <cml:metadata name="dc:creator" content="OpenBabel version 1-100.1"/> | ||
| + | <cml:metadata name="dc:description" content="Conversion of legacy filetype to CML"/> | ||
| + | <cml:metadata name="dc:identifier" content="Unknown"/> | ||
| + | <cml:metadata name="dc:content"/> | ||
| + | <cml:metadata name="dc:rights" content="unknown"/> | ||
| + | <cml:metadata name="dc:type" content="chemistry"/> | ||
| + | <cml:metadata name="dc:contributor" content="unknown"/> | ||
| + | <cml:metadata name="dc:creator" content="Openbabel V1-100.1"/> | ||
| + | <cml:metadata name="dc:date" content="Tue Jun 06 19:11:23 BST 2006"/> | ||
| + | <cml:metadata name="cmlm:structure" content="yes"/> | ||
| + | </cml:metadataList> | ||
| + | <cml:atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18" elementType="C C C C C C H H H H H H H H H H H H" formalCharge="0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x3="1.688100 2.148400 2.936100 2.092700 1.632900 0.853200 2.580700 1.089700 1.257800 2.779100 3.872500 3.241300 1.200500 2.683500 0.995700 2.524000 0.564200 -0.091900" y3="2.157200 3.621700 3.912600 3.576900 2.112000 1.810200 1.488700 1.971100 4.292700 3.847400 3.305300 4.986100 4.246700 3.770000 1.892800 1.442600 0.732200 2.403900" z3="-3.019300 -2.979700 -1.694200 -0.455700 -0.489800 -1.777800 -3.065200 -3.943000 -3.028200 -3.872700 -1.684400 -1.668500 -0.422400 0.471400 0.400200 -0.429400 -1.803100 -1.787800"/> | ||
| + | <cml:bondArray atomRef1="a1 a1 a1 a1 a2 a2 a2 a3 a3 a3 a4 a4 a4 a5 a5 a5 a6 a6" atomRef2="a2 a6 a7 a8 a3 a9 a10 a4 a11 a12 a5 a13 a14 a6 a15 a16 a17 a18" order="1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"/> | ||
| + | </cml:molecule>]]> | ||
| + | </inlineContents> | ||
| + | </jmolApplet> | ||
| + | </jmol> | ||
| + | |||
| + | Both of these examples display if (and only if) the CML contents is put inside <code><![CDATA[</code> and <code>]]></code> tags. | ||
Current revision
[edit] 2mlt Jmol Demo
== CML File ==
This inline example is of a datafile in XML format, but fully carried in a declared namespace of xmlns:cml="http://www.xml-cml.org/schema/cml2/core. In theory, this XML should be processable separately from e.g. the jmol default namespace. Does Mediawiki honour such namespaces?
The next example is the same datafile, but fully escaped.
Both of these examples display if (and only if) the CML contents is put inside <![CDATA[ and ]]> tags.
