Marvin Release Notes

Version 5.8

Latest version: Marvin 5.8.1 (January 11th, 2012)

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See all new features and bug fixes in change log

NMR Prediction is integrated into MarvinSketch and is able to predict carbon-13 and hydrogen-1 nuclear magnetic resonance (13C NMR and 1H NMR) spectra for standard organic molecules.
NMR Spectrum Viewer is able to open and display JCAMP-DX NMR spectra.		 Native PDF format as the default image pasteboard format is used on MAC systems. It allows the user to copy a structure (which was originally created by either Marvin or ChemDraw) from a Microsoft Office 2011 document and to paste it to Marvin
Automatic text OCR (optical character recognition) has been added to support document to structure conversion of scanned (non searchable) PDF documents. Extended support for common names: n2s can convert 123 thousand common names – including synonyms – corresponding to 34 thousand structures instead of the previous 63 and 28 thousand, respectively.
The information on the selected atoms and bonds can be stored in MRV format. New Calculations menu element in MarvinSketch. The various calculations of the Tools menu of previous versions have been moved under the new Calculations menu in MarvinSketch.
  • MRV and CML formats have been changed: there is no indentation, there are line-breakes only after the header, after the documents (in MRV), and after the molecules(in CML). The storage requirement of these new formats is 30% less than the former ones. The original format (including line-breakes and indentation) can be achieved using the -P option from API and in MolConverter; this previous format is displayed – for easier reading – in the Edit > Source window in MarvinSketch.
  • ChemAxon Extended SMARTS represents R-group (Markush) structures.

Change log

Release notes archive 5.7, 5.6, 5.5, 5.4, 5.3, 5.2, 5.1, 5.0, 4.1, 4.0, 3.5, 3.4, 3.3, 3.2, 3.1, 3.0, 2.9, 2.8, 2.7, 2.6, 2.5, 2.4, 2.3, 2.2, 2.1, 2.0, 1.3, 1.2, 1.1, 1.0

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