JChemPaint
January 2010: The JCP 3.0.1 release is available. This is a bugfix release for 3.0. Download here or have a look at the changelog. December 2009: We have finished the JCP 3.0 release. This is a totally reworked design, offering a more user friendly interface. We have done thorough testing and are confident this is a better and more stable release than ever. The applet is also signed so that it can do IO and is smaller and faster than ever. Downloads and a test page for the applet are available. |
JChemPaint (or JCP for short here) is the editor and viewer for 2D chemical structures developed using CDK. It is implemented in several forms: a Java application and two varieties of Java applet.
JChemPaint Editor applet
- An applet is a Java program that runs only within a web page.
- The JCP Editor allows the user to draw chemical structures, and to import and export structure data in plain-text formats (SMILES, Molfile, CML)
- It also allows to programmatically load and display a chemical structure, which can then be edited by the user.
A snapshot of the 3.0 release applet is given below:
To learn how to insert and use the applet within a web page, see JChemPaint Inside Webpages.
JChemPaint Viewer applet
- (An applet is a Java program that runs only within a web page.)
- The JCP Viewer only allows to programmatically display a chemical structure, which the user cannot modify.
- Demo page
To learn how to insert and use the applet within a web page, see JChemPaint Inside Webpages.
JChemPaint application
- The application is a stand-alone program. It needs an installed Java Virtual Machine for operation. If your system does not have a JVM, get it from Sun's Java website.
- The JCP application has all the functionality of the JCP Editor applet (see below), plus file input and output.
Features
These are the most prominent capabilities of the application; most of them are also available in the applets.- Drawing and deletion of single, double, triple and stereo bonds.
- Ring templates (3-8 atoms) with one-click attachment.
- An extensive template library.
- Colouring of atom types, and other rendering settings.
- Editing of atomic charges, isotopes and hydrogen count.
- Loading and saving of structures in Chemical Markup Language (CML) and as MDL MOL files and SDF files (loading only).
- Automated Structure Layout, also known as Structure Diagram Generation.
- Loading structures from the Internet using CAS or NSC number.
- Normalization of structures, currently limited to aromaticity detection.
- Saving bitmap pictures of the structures.
- Saving structures as graphics (PNG, BMP, Scalable Vector Graphics (SVG)).
- Postscript printing.
Tidak ada komentar:
Posting Komentar