ActiveX Edit in ChemDraw
Edit your document using your installed version of ChemDraw, rather than your ActiveX, providing greater screen real estate for editing, and also access to the full range of ChemDraw capabilities.
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.
Draw biological pathways with common pathway elements such as membranes, DNA, enzymes, receptors, and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion and more!
Draw peptides and nucleotide (DNA, RNA) sequences using 1- and 3- letter codes. Includes natural L-, unnatural D- and beta amino acids. Simply switch between 1- and 3- letter codes and expand and contract labels. Insert linking and protecting groups with simple type-ahead functionality. Use the bond tool to create disulfide and lactam bridges, and cyclic peptides.
Draw both acyclic and snaking chains.
(W) See what structures look like in 3D in a floating window and open Chem3D with a single click from within ChemDraw.
Reading & writing of chemical file formats including skc, mol v3000, sdf, spectra & reactions.
Mouse-over red box to read error description.
Users can now select whether they want the spectrum predicted in CDCl
3 or DMSO.
Users can add their own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm.
(W) Advanced property parameter including BP, MP and more.
CLogP/CMR provides the latest methodology for calculationg n-octanol/water partition coefficients and molar refractivity.
Ability to create & edit templates & nicknames.
Search PerkinElmer Informatics databases for chemical structures in real time as you draw.
Generate multiple structures from an "abbreviated" generic structure.
Add special characters from any font instantly to any ChemDraw document.
Element information available at all times with floating periodic table on the desktop.
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.
Draw gel electrophoresis plates. This new tool is similar to TLC Plate Tool, and provides arbitrary rotation for lane labels, drag and position band labels, paste data from Excel or other sources, and copy and paste between lanes.
Documents can contain over 16 million colors. Create high color pathway and element templates.
Data can be attached to objects.
Publication-quality EPS glassware art for use within your ChemDraw documents.
Calculate the logarithmic value of the n-octanol/water partition coefficient.
Calculate the logarithmic value of the aqueous solubility S of a compound. This value significantly affects its absorption and distribution characteristics.
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.
Create multiple page documents and posters within a single ChemDraw file.
Produce structures from systematic and common chemical structure names, and generate systematic IUPAC names from structures. Works for many types of compounds, including charged compounds and salts, isotopically labeled compounds, highly symmetric structures and many other types of organic, inorganic and organometallics.
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.
Paste sequences in FASTA format. Copy a text string describing a biopolymer as a series of single or multi letter residues, with valid separators (space, tab, dash), and paste it as a sequence with full chemistry.
Calculate the logarithmic value of the acid dissociation constant Ka, which is a quantitative measure of the strength of an acid in solution.
Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers.
Represent and manipulate polymers in ChemDraw.
Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams.
Allows specification of relationships between groups of stereocenters smaller than an entire molecule.
Change the center of rotation using adjustment handle on the Lasso and Marquee tools. Rotation will now be centered on the selected origin.
Draw molecules or reactions in ChemDraw and submit them as queries direct to SciFinder® without needing to cut and paste. Requires a separate license to SciFinder®.
Draw peptide or nucleotide sequences using using 1 and 3 letter codes. The atoms are labeled with amino acid or nucleotide nicknames. The sequences can be expanded and contracted.
Identifies stereocenters using Cahn-Ingold Prelog rules.
Automatically track and update stoichiometry data for any user-defined chemical reaction.
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.
Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values.
Topological Polar Surface Area (tPSA) provides a fast approximation of the molecular polar surface area, a useful parameter for prediction of drug transport properties, which has been show to correlate with human intestinal absorption and blood-brain barrier penetration.
3D Query/Finder
(W) Query ChemFinder database by 3D parameter.
(W) Include third party ActiveX controls on your form.
(W) Automatically build or extend databases by importing structures from collections of structure files, databases, SDFiles, or other sources.
(W) The bio visualization add-on to ChemBioFinder allows you to create graphical representations of ChemBioFinder databases in order to identify trends and correlations within subsets of your data.
(W) Search on your computer or network for chemical structures in Word, Excel, PowerPoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.
(W) Search for (sub)structure, similarity, numeric values, text, chemical formula (including element ranges, element exclusions), date. Support for tautomers and alt groups.
Discover similarities within sets of compounds and properties.
(W) Visually compare and rank structures based on values of selected properties and the cost profile associated with each property.
(W) Use a navigation tree to track history of searches between sessions, allow queries to be rerun or reconstituted; merge lists by drag-and-drop in tree. Queries color-coded to relate to ChemBioViz plots.
(W) Merge hitlists with any logic: intersect, union, subtract, reverse subtract.
(W) View records one at a time, in a table view or a multiform view.
(W) Plot one or two variables with a variety of plotting options. Hover over a point to view the corresponding chemical structure. Filter displayed points by any numeric variable using a slider control.
(W) Perform statistical analyses and display the results on the plot, modify the shape and color of plot points, add comment boxes, change axis label text and background color.
(W) Include miniature plots inside subform boxes for quick visualization of subform data on a per-compound basis.
(W) Generate many types of physical property; populate database fields automatically or generate on-the-fly per record.
Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug -- now featuring interactive line-by-line execution -- and display output in a new dockable text window.
(W) Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug -- now featuring interactive line-by-line execution -- and display output in a new dockable text window. CAL is a simple programming language, accessible to non-programmers allows automation, self-running demos, custom operations; includes debugging features.
Conforms to industry standards.
(W) Link relational data to your main table via subforms.
(W) Partition a form into sections using tabbed form pages.
BioDraw
View demo clips of this feature
Draw biological pathways with common pathway elements such as membranes, DNA, enzymes, receptors, and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion and more!
Draw peptides and nucleotide (DNA, RNA) sequences using 1- and 3- letter codes. Includes natural L-, unnatural D- and beta amino acids. Simply switch between 1- and 3- letter codes and expand and contract labels. Insert linking and protecting groups with simple type-ahead functionality. Use the bond tool to create disulfide and lactam bridges, and cyclic peptides.
Add special characters from any font instantly to any ChemDraw document.
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.
A set of high color pathway and element templates.
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.
Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers.
Represent and manipulate polymers in ChemDraw.