pdbset does this nicely:
pdbset xyzin mono.pdb xyzout dimer.pdb <<eof
symgen x, y, z
symgen 1-x, 1-y, z
!select chain A B C D E F G H I K
chain symm 2 A N
chain symm 2 B O
chain symm 2 C P
chain symm 2 D Q
chain symm 2 E R
chain symm 2 F S
chain symm 2 G T
chain symm 2 H U
chain symm 2 J W
chain symm 2 K X
chain symm 2 L Y
chain symm 2 X K
eof
Felix Frolow wrote:
> MOLEMAN from the Uppsala Software Factory
> by Gerard Kleywegt of course
> It is easy as to say " Do it!"
> FF
> Dr Felix Frolow
> Professor of Structural Biology and Biotechnology
> Department of Molecular Microbiology
> and Biotechnology
> Tel Aviv University 69978, Israel
>
> Acta Crystallographica F, co-editor
>
> e-mail: [log in to unmask]
> Tel: ++972-3640-8723
> Fax: ++972-3640-9407
> Cellular: 0547 459 608
>
> On Apr 8, 2011, at 14:17 , krishan wrote:
>
>> Dear CCP4BB members,
>> We are using a script written in python to generate symmetry mates for a given pdb file using PYMOL. After generating symmetry mates we want to combine all the symmetry molecules in a single PDB file with all the chains having unique chain IDs. Since all the symmetry mates have same chain ID's I was wondering if some one knows a script that can give unique chain ID for each symmetry mate. We are interested in script because that dataset that we are handling is large.
>> I thank you all in advance for your help.
>> Best,
>>
>> Krishan
>
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