Drawing chemical structures using MarvinSketch is very easy. The structures are very neat. You can clean up the structure in 2-D and 3-D. The page has a grid that helps us to straight-aligned the chemical structure. Moreover, the structure can be formatted to our liking.
The atoms, functional groups, and bonds can be styled with different colors, sizes, and font types. However, the structure in the 3-D view does not look good. But it is a very useful function to get a rough idea of how the bond arranged in 3-D.
With MarvinSketch , you can draw a chemical reaction scheme as well. Calculator - Calculates various descriptors for the selected structure in the Full Sketcher and the only structure in the Single Molecule Sketcher. Labels - After an element has been selected, hover an atom and click to change that atom's label to the selected element symbol. If you press the mouse down and drag to the edge of the optimize zone, a new bond will sprout from that atom to the label in an optimal position.
Periodic Table - Pops up a periodic table to select a symbol. After a symbol has been selected, hover an atom and click to change that atom's label to the selected element symbol. Press the Close button to close it. Atom Label Tool - This button may or may not be present. When selected, atom label mode begins. Hover over an atom and click to open the atom text tool. Type in your desired label and click elsewhere in the sketcher or press the enter or return key to close the text tool.
You can also use the space key while an atom is hovered to open the label tool for that atom only if the ability is provided by the website. Set Query to Atom or Bond - This button may or may not be present. When selected, query mode begins. Hover over an atom or bond and click to open the query settings for that object. Set the desired query and press the Set button to set the query. You may also use the Remove button to remove the current query or the Cancel button to close the dialog without changes.
Bonds - After a bond type has been selected, hover an atom and press the mouse down to begin drawing a new bond of that type. Drag and place the preview to the preferred position and then release the mouse to place the bond.
The optimize zone blue circle is provided to help place the bond in the optimal position when the mouse pointer is within the bounds of the circle. Hover a bond and click to change that bond's type to the selected type. The single bond tool is special and will add to bond orders instead of overriding them. Rings - After a ring type has been selected, hover an atom and press the mouse down to begin drawing a new ring of that type.
Drag and place the preview to the preferred position and then release the mouse to place the ring. The optimize zone blue circle is provided to help place the ring in the optimal position when the mouse pointer is within the bounds of the circle. Hover a bond and press the mouse down to begin drawing a ring from that bond. Drag the preview to either side of the bond and then release the mouse to place the ring.
Arbitrary Ring Size Tool - This tool works identically to the other ring tools, except that the ring size is determined by the distance of the current draw position to the sprout atom. The ring size is displayed in the center of the ring. Hold down the alt key to modify standard angles. Carbon Chain Tool - Use this tool to draw chains.
The length of the chain will be determined by the distance of the current draw position to the sprout atom. The chain size is displayed at the end of the chain. Hold down the shift key to lock the chain horizontally or vertically. Charges - After a charge sign has been selected, hover an atom and click the mouse to add or subtract from that atom's charge amount.
Lone Pairs - After a lone pair icon has been selected, hover an atom and click the mouse to add or remove a lone pair from that atom. Radicals - After a radical icon has been selected, hover an atom and click the mouse to add or remove a radical from that atom. Isotopes - After selecting this tool, hover an atom and click the mouse to edit the isotope value for the atom. A window will drop down from the top of the sketcher with a number field to input the isotope value. The acceptable value range is from 1 to Press the Set button to define the value, and press the Remove button to remove the isotope definition from the atom.
Clicking anywhere in the sketcher will cancel the action. Implicit Hydrogens - After selecting this tool, hover an atom and click the mouse to edit the implicit hydrogen count for the atom. A window will drop down from the top of the sketcher with a number field to input the implicit hydrogen count.
The acceptable value range is from 0 to For each of these simulations, you get a dedicated tab. For a single collision , it lets you select a reaction and then launch a molecule into the vessel.
You can now visualize the collision of molecules and how the reaction takes place. It lets you vary the environmental properties by adding heat to vessel or cooling down the vessel.
The respective separation graph and energy graph total energy and potential energy are visible on the interface. For multiple collision , select a reaction, adjust initial temperature, specify amount of each molecule in a reaction, and start chemical reaction simulation. You can also view the energy graph with respect to reaction coordinates. Similarly, you can simulate reaction rate experiments too. My Chemistry Lab is a free chemical reaction simulator app for Windows As you launch this app, you can view Molecules and Reactions modules to simulate.
Simply open Reactions module to simulate chemical reactions. It provides one example for different categories of chemical reactions. You can open a category and then simulate the given chemical reaction. All in all, it is a basic chemical simulator app for the beginners. Free Windows Chemistry Sketcher. ChemSketch is a Windows app for drawing representations of chemicals. ChemDraw Professional includes the following applications: — ChemDraw Professional is used by hundreds of thousands of scientists around the world to quickly.
This would be compatible with both 32 bit and 64 bit windows. ChemOffice Professional 18 : is a World famous chemical drawing tool due to its scientifically intelligence research is also being built on the foundation of ChemDraw Professional. ChemOffice 18 PRO is also known as the personal productivity tool that allows scientists and researchers to easily capture, store, retrieve and share data. They can easily share all types of data and information, such as reactions, materials, compounds, and related properties.
One of the best thing in ChemOffice software is that it provides a suite of smart and up-to-date intelligent software to increase personal productivity and improve decision making. ChemOffice 18 let you to easily share all kinds of data and information, such as reactions, materials, compounds, and associated properties.
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