On 10/11/2011 10:16 AM, Tsjerk Wassenaar wrote:
> Not really a Pymol question, is it?
well, it's the segment identifier column, so you can do with PyMOL:
set pdb_retain_ids
load input.pdb
alter all, segi=''
save output.pdb
Cheers,
Thomas
> 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<lina.lastn...@gmail.com> 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,
--
Thomas Holder
MPI for Developmental Biology
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