The free version allows the calculation of on only a single molecule whereas the commercial versions can be used to calculate any number.
Many of the plugins provide detailed information, for example the pKa plugin dislplays the individual pKas for the ionisable groups and also shows the microspecies distribution curves by pH. These include Elemental Analysis, IUPAC Naming Plugin, pKa Plugin, Major Microspecies Plugin, Isoelectric Point Plugin, Partitioning, logP Plugin, logD Plugin, Charge Plugin, Polarizability Plugin, Orbital Electronegativity Plugin, Tautomerization Plugin, Resonance Plugin, Stereoisomer Plugin, Conformer Plugin, Molecular Dynamics Plugin, Topology Analysis Plugin, Geometry Plugin, Polar Surface Area Plugin (2D), Molecular Surface Area Plugin (3D), Hydrogen Bond Donor-Acceptor Plugin, Huckel Analysis Plugin, Refractivity Plugin.
Marvin sketch for mac series#
MarvinSketch also provides access to a variety of property calculations by means of a series of dynamically loaded plugins available from the tools menu.
Marvin sketch for mac full#
“Ph” for benzene ring they can be expanded to display the full structure by choosing “Expand” from the “Group” menu. New tools are introduced for complex drawing, so you are able to create more complex structures without. If the template is drawn as an abbrevation e.g. Marvin JS provides a great solution for drawing and modifying standard organic chemical and organometallic structures, reactions, electron transfer mechanisms, Markush-structures, and query molecules targeting different use cases. Keyboard input also provides rapid access to template ph for Phenyl etc.
Atom types can be changed by choosing the required atom from the top pallette or by keyboard input.
The top pallete provides a selection of predrawn templates which the user can click to activate, clicking on the drawing area then draws the selected template, templets can be linked with the pink guides identifying the atoms about to be attached. It is a fairly intuitive application to use since everything is pretty much point and click. MarvinSketch is provided is a double clickable application and despite being a Java application is not particulalry un-Maclike the scroll bars, icons etc all seem fine whilst in the older versions the keyboard shortcuts all use the control key rather than the “apple” key the latest version now uses the “command” or “apple” key, in fact ChemAxon have been very active in trying to give their applications a more Maclike look and feel.
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