On Tue, Oct 11, 2011 at 4:24 PM, Thomas Holder <
spel...@users.sourceforge.net> wrote:
> 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
>
Thanks,
a bit further question, how to add chain identifier in pymol?
Here the situation is the 6 small ligands shared the same resn and even same
resi,
> 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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