JChemPaint - Using the collaborative forces of the internet to develop a free editor for 2D chemical structures

Molecules

Volumn 5, Issue 1, 2000, Pages 93-98

  Krause, Stefan ^a   Willighagen, Egon ^b   Steinbeck, Christoph ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ECOLOGY   (Germany)

^b RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

Chemical Markup Language; Java; Open Source; Structure Diagram Generation; Structure Editor

Indexed keywords

ALGORITHM; ATOM; AUTOMATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER MODEL; COMPUTER PROGRAM; CONFERENCE PAPER; EDUCATION; INFORMATION PROCESSING; INTERNET; MOLECULE; STRUCTURE ANALYSIS; STUDENT; SYSTEM ANALYSIS;

EID: 0002024882     PISSN: 14203049     EISSN: None     Source Type: Journal    
DOI: 10.3390/50100093     Document Type: Conference Paper

References (12)

1. JMol can be downloaded from http://www.openscience.org/jmol/.
2. The Open Science project website is http://www.openscience.org/.
3. P. Murray-Rust, H. S. Rzepa, "Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles", Journal of Chemical Information and Computer Sciences, 1999, 928-942. For constantly updated documentation of Chemical Markup Language (CML) please see http://www.xml-cml.org/.
4. A. Dalby, J. G. Nourse, W. D. Hounshell, A. K. Gushurst, D. L. Grier, B. A. Leland, J. Laufer, "Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited", Journal of Chemical Information and Computer Sciences, 1992, 244. An updated online version of this document can be found on http://www.mdli.com/downloads/ literature/ctfile.pdf
5. The "Dictionary of Organic Chemistry" is found on http://www.sci.kun.nl/woc/
6. XML is a recommendation written by the World Wide Web Consortium (W3C). Info on this standard can be found at http://www.w3.org/TR/1998/REC-xml- 19980210.
7. E. L. Willighagen, "Processing CML conventions in Java", http://www.openscience.org/~egonw/cml/cml_conventions.html
8. H. E. Helson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 313-398. Structure Diagram Generation.
9. K. Bley, J. Brandt, A. Dengler, R. Frank and I. Ugi, "Constitutional Formulae generated from Connectivity Information: the Program MDRAW". Journal of Chemical Research (M), 1991, 2601-2689.
10. Please see http://www.sourcegear.com/CVS/ for information on the CVS system.
11. E. S. Raymond's "The Cathedral and the Bazaar", "Homesteading the Noosphere" and other related articles are found on http://www.tuxedo.org/.
12. The CML Server project is currently in a preliminary state. Information on this project is located at http://www.openscience.org/-egonw/cmlserver/.