- #Chemdoodle ferrocene update#
- #Chemdoodle ferrocene free#
The cleaning of very wide reactions has been greatly improved. 
Added more preset templates to the structure cleaning algorithm.Previously, this runtime lasted about 30 seconds, it is now instantaneous. Structure cleaning algorithm runtime has been greatly improved when complex embedded rings are present.Fixed bug where nothing happened when deducing the stereochemistry of an ambiguous stereocenter.Atom Label Tool icon has been changed to stick out more.Fixed issue where clicking on a terminal atom didn’t select it.Fixed issue where the close icons weren’t being rendered on tabs on Windows/Linux.Fixed issue that caused a flashing of the mouse cursor when using the lasso tool and hovering over shape anchors.Added a style sheet to quickly produce 2D graphics for 3D data and scenes.Included a new file specification for MDL connection tables to include/exclude Hydrogen counts.Added a visual specification for attributes to determine the amount of reduction for font text size in attributes that contain text.Reaction arrows with no text will have a length equal to twice this value 30px by default. When cleaned, reaction arrows will now fit their text based on this padding.
Added a visual specification for reactions to set the padding for reaction condition text if that text is centered. When objects are hovered, pressing the comma key will open that object’s visual specifications formatting window. When bonds are hovered, the arrow keys will orient the bond in the pressed direction from start atom to end atom, rotating the entire molecule it is contained in. Opening a previously typed atom label will set the enter key text to that label. When atoms are hovered, the enter key will now set the hovered atom’s label to the last typed atom label. – 13C: alkane improvements, alkene improvements, alkyne improvements, decreased quaternary peak intensities, heteroaromatics – 1H: anisotropic effects, ring strain, hydrogen bonding effects, rapid exchange, diastereocenters, heteroaromatics NMR simulation algorithms greatly improved. More restriction options have been added for the Search widget, and those options are now accessible right from the widget. Search widget now displays a drop box for placing the search structure in, replacing the spinner that was previously there and making the use of the widget much more intuitive. Access to to chemical suppliers for the chemicals drawn by clicking the Chemical Suppliers menu item in the Structure menu. Access to structures and properties provided in the MolGrabber widget. Incorporated the input and output of the MDL RDFile format for storing reaction schemes. Both V2000 and V3000 connection tables are supported Incorporated the input and output of the MDL RXNFile format for storing single reactions. Incorporated the input and output of the ACD/ChemSketch Document format. The NMR simulation algorithms have been greatly improved. Also implemented is a complete interface to the ChemExper database providing structures and properties from the MolGrabber widget and access to chemical suppliers for structures that you draw. ChemDoodle now reads and writes the formats of all chemical sketchers. Executive SummaryĬhemDoodle 3.1 provides three new file formats: ACD/ChemSketch Document, MDL RXNFile (both V2000 and V3000) and MDL RDFile. #Chemdoodle ferrocene update#
Just open up ChemDoodle and follow the directions to automatically update ChemDoodle.
#Chemdoodle ferrocene free#
ChemDoodle 3.1 has been released! We provide this upgrade, free of charge, to our existing customers.
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