Well, you can load scripts into tleap via "-f scriptname". The script
would have your commands. For the kind of think you're talking about, I've
done the same commands for as many as 8000 proteins, in which case I just
wrote a python script that output for me a very long txt file of the
commands which I loaded as a script into tleap. So that is the solution I
would recommend, rather than hoping to have loops and logic within leap,
just use another languages loops and logic to output a command by command
script.
~Aron
On Mon, Dec 10, 2012 at 2:03 AM, Sajeewa Pemasinghe <sajeewasp.gmail.com>wrote:
> Hi all,
>
> I have to run the same 3 commands on about 200 pdb files which are like
> cdd1.pdb ,cdd2.pdb, cdd3.pdb.......cdd200.pdb. Is there any way I can get
> this run by a script like (rough)
>
> for(int i=0;i<200;i++){
>
> command1 cddi.pdb
> command2 cddi.pdb
> command3 cddi.pdb
>
> }
>
> The question might sound naive but if there is a solution like above it
> would save me tons of time. I really appreciate it.
>
> Thank you
>
> Sajeewa Dewage
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>
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Sun Dec 09 2012 - 23:30:02 PST
