Re: [AMBER] Any possibility of scripting in tleap?

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Mon, 10 Dec 2012 09:35:57 -0500

Thank you very much Dr.Case. Thank you for correcting me. Yes I should have
used (i+1) OR for(int i=1;i<201;i++){........

On Mon, Dec 10, 2012 at 8:49 AM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Mon, Dec 10, 2012, Sajeewa Pemasinghe wrote:
> >
> > 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
> >
> > }
>
> Shells can do this; see, e.g.
> http://tldp.org/HOWTO/Bash-Prog-Intro-HOWTO-7.html for info on how to
> make a
> loop in the bash shell. It would look something like this (untested!)
>
> for i in `seq 1 200`; do
> command1 cdd$i.pdb
> command2 cdd$i.pdb
> command3 cdd$i.pdb
> done
>
> Learning shell scripts is well worth your time. (Note that your text
> indicated that you wanted to have i go from 1 to 200, but your sample code
> looped from 0 to 199; be sure to write you really want.)
>
> ...dac
>
>
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Received on Mon Dec 10 2012 - 07:00:02 PST
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