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You can override these decisions at any time by holding down and dragging the mouse during placement. In addition to standard ring tools and templates, ChemDoodle provides special arbitrary ring and crown ether tools for quickly building advanced ring systems.
Quickly build structures using our built-in template libraries, or create your own templates. The Templates widget organizes the templates for you. Several tools are provided to help you quickly build complex 3D geometries, including carbon nanotube and prism builders. Armchair, zigzag and chiral nanotubes can be built. Use the Rotate in 3D tool to change the 3D perspective of the drawn structure. Complex algorithms have been implemented to automatically lay out chemical structures aesthetically.
Select only part of a structure to clean only that part, leaving the remaining structure untouched. There are so many tools in ChemDoodle for working with chemical graphics, including alignment and distribution functions, bond adjustment features, action tracking, transforms and more. Our algorithms name molecules naturally and accurately, down to the character and formatting. If you find any problems, simply contact us with the structure so we can correct it.
The majority of the periodic table is handled. Implicit hydrogens will be added for you to your drawings. You have the ability to turn them off for single atoms, globally or override them as appropriate. Detect the aromaticity and anti-aromaticity of your rings and display the number of pi electron contributors. You can also force aromatic ring recognition using all resonance bonds.
This is useful when dealing with large, embedded, aromatic ring systems. Perceive stereochemistry for drawn 2D structures. CIP stereochemistry is determined for chiral centers and double bonds using our advanced and accurate CIP algorithms.
When you draw a stereochemical configuration for a chiral center in ChemDoodle, it is recognized by the software exactly as drawn, being one of two enantiomers. In certain cases, you may wish to define a current chiral center as one configuration or the other, or as a mixture of both and. This can be defined using the enhanced stereochemistry features in ChemDoodle. You may then output this information into several file formats for use by compatible registration and search engines, for instance.
Repeat units aka repeat groups or repeating brackets are used to define linearly repeating substructures in molecules. A repeat unit consists of a pair of square brackets denoting the substructure to be repeated and a repeat value defining how many times the substructure is repeated. Most conveniently, when properly defined in chemical structures in ChemDoodle, repeat units are automatically recognized, evaluated and expanded so you can quickly draw complex structures and perform cheminformatics tasks such as calculating molecular masses and formulas.
This is very convenient for oligomers and polymers. Calculate dozens of descriptors for structures, including masses, formulae, volumes, physical properties, topological indexes, counts, bioactivity filters and more. Use the Elemental Analysis widget to calculate molecular masses, elemental analysis and isotopic distributions for structures as you draw them. Select entire complexes to calculate bulk properties.
ChemDoodle will double check your work for you and notify you when it finds chemistry issues, such as overvalanced atoms, incorrectly drawn stereocenters, or partially intersecting repeat units. ChemDoodle contains an entire elemental database. Most of the calculations performed by ChemDoodle use this data. The data is kept relevant and referenced and includes many elemental properties such as electronegativites, radii, thermodynamic properties, years of discovery and more. Databases of ionization energies and isotopes are also provided.
You may view this data at any time in the View menu. A fully interactive periodic table is provided for visualization and reference.
You can even customize it and print it out! A SciFinder n account is required. Google Patents searching is integrated. You may perform structure, substructure and similarity searching into the Google Patents and non-patent literature databases at Google using structures drawn in ChemDoodle.
All of the resources we use to develop the algorithms in ChemDoodle or the choices we make for the software are documented in the Help menu.
This way you can evaluate the quality of our work. Arrows are essential in chemical graphics for many reasons, the most important being for reaction and mechanism diagrams. Arrows are so important that, in ChemDoodle 2D, they have their own unique toolbar palette.
These tools allow you to quickly draw various types of arrows, both straight and in arcs. Special arrow type templates are also provided, such as bold, equilibrium and retrosynthetic arrows. Other types of paths, such as polylines and bezier curves can also be used for arrows. ChemDoodle 2D provides unique tools to automatically render single electron, electron pair and bond forming pushing arrows based on an starting and ending atom or bond.
Quickly create advanced mechanism drawings. Arrows and arrowheads are completely customizable, just like everything else in ChemDoodle 2D.
Change sizes, fills, colors and more. You may also change the arrow stroke to create a wavy photon arrow, or include a no go slash or cross. You can manually define reactants and products, or have ChemDoodle 2D automatically infer reaction components based on their locations around an arrow.
ChemDoodle 2D contains convenient tools for building reactions based on bond breaking and formation. Simply drag the tool over the desired bonds and the appropriate reactions will automatically be generated for you. Reactions can be automatically laid out for you, to achieve the most aesthetic figures.
Reactions that are very wide will be stacked appropriately. Complete reactions can be balanced by ChemDoodle 2D, either when drawn using structures and arrows, or typed as a reaction equation.
ChemDoodle 2D will be able to balance any reaction equation that can be balanced. If you know one, please use the 'Suggest a program' link below. We have not yet verified any web services that work with this specific file format. Suggest a program. Other file formats using extension. Various viewers for this file format These apps are known to open certain types of CDX files.
We have not verified any software that we know for certain will work with CDX-files on Mac. If you know one, please use the 'Suggest a program' link below and tell us about it! We have not verified any web services that we know for certain will work with CDX-files. Microsoft Development Environment.
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