Re: retrosynthesis
Dear All,
I also gave my antwort yesterday another thought, regarding LHASA. It was started as one of the first AI funded projects in 1968. There was software available during this time, and a paper every other year regarding the project. There were also parallel spin off from MIT. Basically, if there was no GPL found, the versions prior to 1993 would have had there copy-write run out, and thus also should be public access (if you could track down someone whom has one of these, ie an old VAX or something sitting in a lab).
Most likely though it looks like the OSET/CAOS java based app with I think the free ISIS draw plugged in is the most complete, and probably could be jimmy rigged to work, ie the decompile and trying to piece it together again, update libraries and then add in one of the newer chem databases from say FLUKA or SIGMA. Still, that is some work. As I am a student, I will not be doing such things for a year or two, but plan on trying at least to put things out to get some collaborative help, and make things freely available. A good rational drug design set of apps for bio/chem labs would be cool, like the debia-med system for medical practice platforms. I am, I must mention, not the best programmer but I have gotten things to work for my self in a "jimmied" fashion, and have re-writtin some java and python small software to meet my needs.
Sincerely,
Stephan Watkins
-------- Original-Nachricht --------
> Datum: Sun, 22 Jul 2012 22:12:45 +0200
> Von: Michael Banck <mbanck@debian.org>
> An: lloyd riggs <lloyd.riggs@gmx.ch>
> CC: debian-science@lists.debian.org
> Betreff: Re: retrosynthesis
> Hi,
>
> On Sun, Jul 22, 2012 at 09:46:45PM +0200, lloyd riggs wrote:
> > Im trying to find GPL retorsynthesis software, such as LHASA or WODCA.
> > As it seems all of the freeware I knew from 2002 is gone, and only 1
> > commercial version I could find cost several thousand dollars, I
> > woundered if anyone had an old LHASA GPL version or equivalent for
> > Linux/Unix.
>
> Are you sure LHASA was ever GPL'd? Do you have some pointers to this?
>
>
> Michael
>
>
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