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MRV (ChemAxon Marvin Document) for Reactions
What Is MRV file format?
✍: FYIcenter.com
MRV (ChemAxon Marvin Document) is an XML based chemical structure file format used
by Marvin, developed by ChemAxon.
MRV can be used to store molecule structures and chemical reactions.
Example of a MRV file for a reaction:
<?xml version='1.0' encoding='UTF-8'?> <cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_18_11_0.xsd" version="ChemAxon file format v18.11.0, generated by v19.3.0"> <MDocument> <MChemicalStruct> <reaction> <arrow type="DEFAULT" x1="4.336961220878996" y1="-2.5390628523932253" x2="5.790143423709454" y2="-2.582429334078305"/> <reactantList> <molecule molID="m1"> <atomArray atomID="a1 a2 a3" elementType="N N Cl" x2="1.88406 2.75009 3.61611" y2="-2.32504 -2.82504 -2.32504"/> <bondArray> <bond id="b1" atomRefs2="a1 a2" order="1"/> <bond id="b2" atomRefs2="a2 a3" order="1"/> </bondArray> </molecule> </reactantList> <productList> <molecule molID="m2"> <atomArray atomID="a1 a2" elementType="N N" x2="6.51611 7.51611" y2="-2.62504 -2.62504"/> <bondArray> <bond id="b1" atomRefs2="a1 a2" order="1"/> </bondArray> </molecule> <molecule molID="m3"> <atomArray atomID="a1" elementType="Cl" x2="9.71611" y2="-2.68754"/> <bondArray/> </molecule> </productList> </reaction> </MChemicalStruct> </MDocument>
For more information, see Marvin Document Website.
⇐ CDXML (ChemDraw XML) for Reactions
⇑ Reaction Presentations and File Formats
⇑⇑ Reaction FAQ
2024-11-05, 774🔥, 0💬
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