Posted in ChemDoodle. January 19th, 2010
The most important new feature making its debut in ChemDoodle 2 is the ability to seamlessly paste and insert scalable vector graphics into your favorite applications. Vector graphics are images that retain their crisp and clear quality regardless of their dimensions or resolution. We must stress the importance of such a feat, as no other [...]
Posted in ChemDoodle. January 19th, 2010
One of the new widgets incorporated into ChemDoodle 2 is the new TLC Canvas. This widget allows you to digitally reproduce experimental Thin Layer Chromatography (TLC) plates with near photorealism. UPDATE: ChemDoodle 2 was released on 5/27/09. The following image and list will describe the layout of the widget. Choose the current color of the [...]
Posted in ChemDoodle. January 19th, 2010
Since Ubuntu 9.04 was released with a newer version of Java, we just had to try ChemDoodle on the upgraded OS. We all agree that ChemDoodle on Ubuntu 9.04 is faster than on previous versions of the OS and several Java glitches have been repaired, most notably, the missing borders around comboboxes. UPDATE: ChemDoodle 2 [...]
Posted in ChemDoodle. January 19th, 2010
In ChemDoodle 2, the SMILES widget has been upgraded to the Line Notation Pad widget. Now Sybyl Line Notation (SLN), IUPAC International Chemical Identifiers (InChI) and Beilstein’s Representation Of Structure Description Arranged Linearly (ROSDAL) can be generated in addition to Daylight SMILES. Here, I will briefly describe the features of this improved widget. UPDATE: ChemDoodle [...]
Posted in ChemDoodle. January 19th, 2010
ChemDoodle 2 will be released shortly, so I will begin divulging some of the great new features. One addition is the ability to use different stroke patterns to draw bonds. All chemical drawing programs produce fairly plain structures. You have your line, your dotted line and your wedge, which are perfect for making clear precise [...]
Posted in ChemDoodle. January 19th, 2010
In all chemical drawing applications, identifiers are logically associated with an object, but not always spatially. Sometimes, identifiers may be misplaced, especially when structures are moved. Therefore problems occur when the initial logical association is ambiguous or forgotten, such as when opening an old file or opening one given to you by someone else. I [...]
Posted in ChemDoodle. January 19th, 2010
ChemDoodle v1.4.0 now contains a function for rotating structures in 3 dimensions. Rotations are performed on a virtual trackball and are very intuitive. As you can see from the animations below, structures can now be portrayed in a very captivating fashion. All file formats will now read and write the z-coordinate. The button for entering [...]
Posted in ChemDoodle. January 19th, 2010
By popular demand, we have implemented a very intuitive system of managing fixed bond angles and lengths when drawing structures in ChemDoodle v1.4.0. Previously, angles and lengths were fixed by default and you could break from both restraints by holding the shift key. This system was not completely manageable as there were no default settings [...]
Posted in ChemDoodle. January 19th, 2010
Another great new feature to be introduced in ChemDoodle v1.4.0 is the new and improved MolGrabber widget. Notice that the “LITE” part of the widget’s name has been dropped. This is because the new widget is much more powerful than even the original MolGrabber web application. MolGrabber now has full access to all the data [...]
Posted in ChemDoodle. January 19th, 2010
ChemDoodle v1.4.0 is still under development, but I would like to introduce some of the new features that are being implemented. The first of many is the introduction of functions to specify and force the stereochemistry of various centers. In the next few weeks we will be posting some more stories about some of the [...]