Hi Lina,
Not really a Pymol question, is it?
On linux you can use sed:
sed '/^\(ATOM\|HETA\)/s/^\(.\{72\}\)..../\1 /' filein.pdb > fileout.pdb
That means:
/^\(ATOM\|HETA\)/ :: Match lines starting with ATOM or with HETA, and
on those lines execute:
s/^\(.\{72\}\)..../\1 / :: Subsitute the first 72 characters and
the following four by the first 72 and four spaces. '\1' refers to the
72 stored characters: \(.\{72\}\}
Hope it helps,
Tsjerk
On Tue, Oct 11, 2011 at 9:59 AM, lina <[email protected]> wrote:
> Hi,
>
> I wish to change
>
> ATOM 822 H01 PDB 1 32.103 36.531 -0.203 -0.11 0.02 .296
> H
> ATOM 823 C12 PDB 1 34.140 35.147 -0.218 -0.18 -0.01 .122
> C
>
> to:
>
> ATOM 822 H01 PDB 1 32.103 36.531 -0.203 -0.11
> 0.02 H
> ATOM 823 C12 PDB 1 34.140 35.147 -0.218 -0.18
> -0.01 C
>
> only the last field.
>
> How can I quickly achieve it.
>
> Thanks,
>
>
>
> ------------------------------------------------------------------------------
> All the data continuously generated in your IT infrastructure contains a
> definitive record of customers, application performance, security
> threats, fraudulent activity and more. Splunk takes this data and makes
> sense of it. Business sense. IT sense. Common sense.
> http://p.sf.net/sfu/splunk-d2d-oct
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>
--
Tsjerk A. Wassenaar, Ph.D.
post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands
------------------------------------------------------------------------------
All the data continuously generated in your IT infrastructure contains a
definitive record of customers, application performance, security
threats, fraudulent activity and more. Splunk takes this data and makes
sense of it. Business sense. IT sense. Common sense.
http://p.sf.net/sfu/splunk-d2d-oct
_______________________________________________
PyMOL-users mailing list ([email protected])
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/[email protected]
