[Users-list] GRID gcnt program&In-Reply-To=GKEGIIJDABLBKIBMGLHOEEBPCBAA.lemcke@chemie.uni-hamburg.de

[Tobias Lippert]

Hi everyone at Moldiscovery

I do not know much about programming, but is it true that everyone with
a Tripos Sybyl licence has access to that library on his/her computer?
If so, is there any chance that you could supply the sourcecode for the
conversion programs? That would solve the problem with the linked
libraries, right?
I am sure that you invested much work into these conversion programs and
it would be a pity if it was all for nothing :-)

Thanks in advance

Tobias Lippert



> Dr. Thomas Lemcke wrote:
> > Hi,
> >
> > I tried to use the utility program gcnt to convert gridkont.dat files to
> > sybyl readable cnt-files for the use in qsar (as descibed in the
> > GRID-manual). Doing this I realised, that the program was not distributed in> > the GRID22a version.
> > Has anybody experienced the same problem or am I just to dumb to find the
> > program??
>
> The gcnt program, and also grids and k2s, are distributed _only_ in the
> IRIX package, because they are built with a Tripos library we only had
> for that platform.
> That said, you can "export" kont files to cnt format using Gview: open
> the kont file in Gview, then use the command File->Save... and choose
> the sybyl cnt format for saving.
>
> Hope this helps
>
> Gianluca