On 04/08/2011 12:17 PM, 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 uniqu
Krishan,
Here is a simple stand-alone python script that should do what you want.
Greg
#!/usr/bin/python
#
# rechainpdb.py
# usage:
# python rechainpdb.py mypdbfile1.pdb mypdbfile2.pdb mypdbfile3.pdb
#
# This will generate a new file with all pdbfile (ATOMs and HETATMs) in a single
# file, with e
pdbset does this nicely:
pdbset xyzin mono.pdb xyzout dimer.pdb <
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
I wrote a little utility called pdb_merge that is in CCP4. With the
"nomerge" option, it checks for duplicate chain IDs, and renames chains
if necessary.
The main limitation is that it can only merge 2 files, but you should be
able to script a loop to call it multiple times.
What happens if you h
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-edito
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
