AMBER Archive (2003)

Subject: RE: AMBER: AMBER Carnal files

From: Yong Duan (yduan_at_udel.edu)
Date: Sun Sep 21 2003 - 21:02:40 CDT

Sorry, I asumed you were using unix.
Awk is a standard batch text-processing/editing program. You can check
how to use awk by,

man awk

All in small lower cases. In general, if you need to find something on
unix, you should try
man -k something_interesting

Try:

awk '{print $3, $4, $5}' carnal_output_file

This will print out the 3rd, 4th, and 5th columns and ignore the first 2
columns.
But, "position" implies coordinate which is a 3-d vector (x,y,z).

yong

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of
> Frederico.Miranda_at_ibmb.uib.no
> Sent: Sunday, September 21, 2003 8:09 PM
> To: amber_at_scripps.edu
> Subject: RE: AMBER: AMBER Carnal files
>
>
>
> I have 5 columns in the file. I do not know how to use it. I
> also don't know
> what an awk script is. Could you help me with it? Thank You.
>
> Frederico Miranda
>
> Quoting Yong Duan <yduan_at_udel.edu>:
>
> >
> > Position? I thought you should have 3 columns for X-y-z
> coordinates of
> > an atom plus a label. You can use an awk script to pick up
> the columns
> > you want.
> >
> > yong
>
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