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: mbfro...@post.tau.ac.il
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
