De: Clodoaldo Pinto <clodoaldo.pinto=40gmail.com>
>I searched the list but can't find the correct format for the fah xyz
There is no description of the fah xyz file format. It was try and guess t=
o 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
>'1 N 4.336784 27.183590 36.134543 2 747=5Cn'+
>'2 H 4.042975 27.173009 37.100809 1=5Cn'+
>'748 HA 5.637846 28.861172 36.155944 747=5Cn', '', '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 nam=
e MUST be on the same line for Jmol to identify the file as a FAH xyz file=
=2E 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