Re: java
On Saturday 13 January 2007 14:58, Francesco Pietra wrote:
> That's OK and jmol 11 is running here, although not
> yet tried. Thank you.
OK, good to hear that.
> If anything, I was surprised that jmol does not look
> into MPQC.
Ah, well... I have never noticed it before. Looks interesting. If you email me
two or three output files (e.g. water geom optimization, maybe a vibration
calculation, or so), then I'll see to that Jmol gets reading support for MPQC
output.
How does it compare to http://openmopac.net/ ?
Egon
--
e.willighagen@science.ru.nl
Cologne University Bioinformatics Center (CUBIC)
Blog: http://chem-bla-ics.blogspot.com/
GPG: 1024D/D6336BA6
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