De: Clodoaldo Pinto <[EMAIL PROTECTED]> > >I searched the list but can't find the correct format for the fah xyz >text to feed the jmolAppletInline javascript function.
There is no description of the fah xyz file format. It was try and guess to find how to read them. >I'm trying to build a very simple jmol extension to mediawiki. To show >a jmol applet with the desired molecule: > ><jmol>contents of the fah xyz file</jmol> > >A php parsing on the fah xyz file content produces a text which is >passed to the jmolAppletInline javascript function: > >jmolAppletInline(400, >'748\n'+ >'p1416_polyQ_beta-helix\n'+ >'1 N 4.336784 27.183590 36.134543 2 747\n'+ >'2 H 4.042975 27.173009 37.100809 1\n'+ >.... >'748 HA 5.637846 28.861172 36.155944 747\n', '', >'FahWiki'); > >The problem is that it is not working. The Jmol version is 10.00.11. The problem is in the file format : the project number and the project name MUST be on the same line for Jmol to identify the file as a FAH xyz file. Otherwise, Jmol will believe it is a regular xyz file. Simple description of the format: First line: <number of atoms> <project name> Next lines: <atom number> <symbol> <x> <y> <z> <bond1> <bond2> ... Hope this helps Nicolas ------------------------------------------------------- This SF.Net email is sponsored by Oracle Space Sweepstakes Want to be the first software developer in space? Enter now for the Oracle Space Sweepstakes! http://ads.osdn.com/?ad_idt12&alloc_id344&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
