I'd really like to use Jmol as a replacement for Chime in a Web-based Molecule (Z-Matrix)-Editor.
For that I'd need: * a Mopac93/Mopac7.0-Inputfile reader (Are there (big) differences in the file-format?)
* an Applet-to-JavaScript "MessageCallBack" & "PickCallBack" (that I can handle (at least) the Atomnumber and -Symbol in a JavaScript)
At the moment I've realised it with Chime, Python-CGI's and JavaScript:
http://oc24.uni-paderborn.de/iorao-bin/prepareJob.py?reaction=nitration_benzene
...Oliver
E.L. Willighagen wrote:
we're about to complete the file IO for Jmol HEAD, and would appreciate your input about formats you think are no longer used, and maybe those which you think are important... so, sort of popularity test.
E.g. is anyone still using the old Gaussian90,-92,94,95 file readers? Or the Mopac97 reader?
-- Oliver St�ker ========================================================================== = University of Paderborn = Office: W1.111 = = Faculty of Science / Dep. of Chemistry = phone : +49 (5251) 60-5466 = = Warburger Str. 100 = fax : +49 (5251) 60-3245 = = D-33098 Paderborn = e-mail: [EMAIL PROTECTED] = = Germany = http://oc24.upb.de/~revilo = ==========================================================================
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