Chemdoodle 5 Activation Code Keygen Software
Camie Fons
We spend a very long time scrutinizing the graphics output in ChemDoodle. The software automatically orients bonds in the correct directions, merges bond strokes together, places attributes in the best locations and automatically makes smart decisions that lead to the most beautiful and appealing images. Of course, you can always override the software to your preference.
Represent chemical structures with the widest range of chemical bonds avialable in any software tool. From standard integer bonds, to specialty bonds like ionic and covalent, you can accurately depict any structure. All of the bonds orient themselves and merge together for the most aesthetic graphics.
Easily create 3D effects in figures by using protruding and bold bonds. ChemDoodle will automatically merge their strokes for an optimal appearance. Bonds in the foreground will buffer intersecting bonds in the background.
Tables are very powerful shapes for creating organized groupings of content in grid patterns. You can control the table grid and its formatting as well as the content that appears within each table cell and cell formatting. Tables can be drawn in several styles and are defined and controlled by an intuitive anchor box set that provides instant feedback for edits you may want to perform. Rowspans, colspans, padding and alignment are supported. Tables can be fit to contained content. This is a great way of creating really attractive and informative figures of data.
ChemDoodle will help guide your drawing to create the most aesthetic figures using a feature we call the "Optimize Zone" for standard bond angles and lengths. Just move your mouse out of the zone to override it.
In addition to the standard elemental labels, you can input any custom label you desire. ChemDoodle will automatically chemically interpret and format labels. You can also directly control text formatting. Labels can be expanded to full atom models and full atom models can be automatically collapsed into concise labels based on your abbreviation library or to a custom label.
Abbreviations and compound labels like "COOH" and "Ph", as well as formulae can be expanded to quickly build and work with complex chemical structures. You can define your own custom abbreviations to be used in ChemDoodle.
If you need to tag atoms or bonds by increments, ChemDoodle provides powerful tools to do this. Simply click on the atom or bond to tag them and the next tag is automatically incremented. Tag by alphabet, number, roman numeral or greek letter.
ChemDoodle will automatically place your charges, radicals, stereocenter labels and other attributes for you in an aesthetic manner. You can override these decisions at any time by holding down and dragging the mouse during placement.
Several methods are available to control the z-ordering of bonds, or how they layer on top of each other when overlaps occur. Easy to use context-menu options are provided for quick control. ChemDoodle also includes an advanced algorithm to automatically layer bonds for you based on the assigned wedges within a drawn structure.
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.
Automatically detect bonds in chemical files that do not contain bond data. Commonly, molecule data files do not include any bond information. Files including PDB, XYZ and output from quantum mechanics programs do not officially store bond data. Instead of having to draw bonds by hand, ChemDoodle contains tools for deducing covalent bonds based on just the atom elements and coordinates alone. ChemDoodle can even assign bond orders to those bonds based on several algorithms, including "All Single", Antechamber and Auto-UFF.
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. Tools are available to switch your figures between Kekul, delocalized and circle forms.
Automatically produce a Kekul structure will alternating single and double bonds from a single bond skeleton or any resonance system. This is useful when dealing with large, embedded, aromatic ring systems.
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.
Use the Elemental Analysis widget to calculate molecular masses, elemental analysis and isotopic distributions for structures as you draw them. Isotopes, radicals and charges are supported. Select entire complexes to calculate bulk properties.
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.
Initiate CAS SciFindern queries and gain access to a history of chemical information right from ChemDoodle. Draw your query in ChemDoodle and search SciFindern by Substances, Suppliers, Reactions or References. A SciFindern 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.
Our algorithms name molecules naturally and accurately, down to the character and formatting. Please see chapter 14 of the user guide for a thorough explanation. If you find any problems, simply contact us with the structure so we can correct it.
The entire history of the IUPAC nomenclature specification is used in our development. The entire periodic table is supported. Both customizable traditional IUPAC names and Attempted Preferred IUPAC Names (PINs) are generated.
ChemDoodle will automatically detect and understand the 3D geometric features drawn in your document. Tetrahedral centers, alkenes and other isolated double bond systems, allenes and both odd and even numbered cumulenes, and atropisomers are all expertly handled.
The IUPAC specification is a very thorough and complex ruleset for properly conveying 3D geometric features in a 2D chemical drawing. ChemDoodle uses the IUPAC specification for interpretation of geometric features by default, and will always modify or output 2D figures to satisfy IUPAC rules, if possible, when using the features of the software.
As an alternative to the IUPAC rules, the MDL/BIOVIA specification is implemented as an option in ChemDoodle for more relaxed and less stringent interpretation of 3D geometries in 2D chemical drawings.CHEMICAL REPRESENTATION; Dassault Systmes: San Diego, CA, 2018.
If you have or need files that contain stereochemical information, ChemDoodle is the perfect tool for you. ChemDoodle automatically handles stereochemical information in and out of popular chemical file formats, like MDL CTfiles, SMILES, ChemDraw, InChI and more.
The CIP rules have long been the standard for describing configurations of stereochemical features in a molecule. While flawed, they have seen many revisions over the decades and were clarified by the work of Paulina Mata. These rules were adopted by IUPAC for naming standards and fully described in the Blue books. The most recent CIP rules from IUPAC were then algorithmically analyzed and standarized by Hanson et al. to remove any ambiguities and describe a completely consistent system for CIP assignments.
ChemDoodle implements all 6 current CIP rules as well as auxilliary desciptors and mancude ring support. Stereochemical features in your structures will be assigned "R", "S", "E", "Z", "M" and "P" descriptors. The CIP algorithm in ChemDoodle is validated against the test suite provided by Hanson et. al. and is 100% accurate in all 300 test cases provided.
Pseudo-asymmetric stereochemical features in your structure are also resolved by our CIP engine, including meso centers. These will be assigned the lowercase "r", "s", "e", "z", "m" and "p" descriptors.
If you do not want to draw the stereochemistry in your structures, ChemDoodle will do it for you, if necessary and possible. Just tell it which configuration to apply for a given stereochemical feature.
ChemDoodle will check your stereochemical drawings for you to make sure they are compliant with the IUPAC and MDL/BIOVIA specifications. ChemDoodle will also let you know when stereochemical information is not ideal, such as when wedges are drawn on a center that is not a stereocenter, or if a potential stereocenter does not have a configuration specified.
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), 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.
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