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

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 10 Dec 2012 08:49:44 -0500

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 10 2012 - 06:00:05 PST
Custom Search