AMBER Archive (2005)

Subject: Re: AMBER: Warnings as a file

From: scopio (scopio_at_163.com)
Date: Mon Apr 11 2005 - 00:03:39 CDT

Dear Pavan:

All the operations and messages in leap are recorded in leap.log. You can
find the warning messages in this file. If you only need the warning
messages of "check" command, you can simply use "grep" to achieve this:
in your console, type:
grep "Close contact" leap.log > checkWarnings

I hope this helps!

Best Regards!

Liu

On Mon, 11 Apr 2005 12:37:21 +0800, Pavan Ghatty <pavanamber_at_yahoo.com>
wrote:

> Hi,
>
> I want to know if the warnings given when we run the
> "check" command can be obtained as a file rather than
> we just copying and pasting them in emacs(or any word
> processor for that matter).
> I need the warnings to find the atoms that are too
> close (some actually overlap) to the protein and
> delete them from the pdb file. Now in my case, there
> are around (hold your breath) 1400 warnings which I
> need as a file which will be the input to a program
> that will fish out the numbers of the atoms that are
> close. Copying and pasting 1400 warnings becomes too
> inconvenient.
>
> Pavan
>
>
>
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-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China

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