At 17:17 29/08/2006, Rich wrote:
>According to the CIF standards anything other than dataitems are to be
>ignored by the parser. So, blank lines, lines starting with # or !
Yes, but the problem is that Jmol appears to choke on completely blank lines,
but otherwise deals admirably with some pretty horrible CIF's that I fed to it.
BTW I got my general polyhedra script (designed for CIF) to work for PDB and
all kinds of files by simply avoiding references to cells like "restrict cell={
2 2 2 }" :-)
>I kinda like the idea of being able to embed a script in a CIF
>but why not just define a jmol-specific dataitem? There is no harm with
>that and it guarantees that the dataitem will get carried on in the CIF
Well a line starting with a hash such as #Jmolscript: will get carried as a
comment by any CIF parser (I hope) so that should be CIF OK.
Alan.
_____________________________________________________________
Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
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