Hello,
I wanted to know if its possible in PyMOL to split a PDB file with multiple
chains,into its component chains and make smaller PDB files corresponding to
each chain.
For eg: I have a pdb file, 1a55.pdb, having chains P,Q and R. How do I make
split it to separate components like 1a55_P.pdb,
Hi Anasuya,
load 1a55.pdb
create 1a55_P, 1a55 and c. P
create 1a55_Q, 1a55 and c. Q
create 1a55_R, 1a55 and c. R
save 1a55_P.pdb, 1a55_P
save 1a55_Q.pdb, 1a55_Q
save 1a55_R.pdb, 1a55_R
Andreas
On 04/04/2013 11:19, Anasuya Dighe wrote:
Hello,
I wanted to know if its possible in PyMOL to
Hi Anasuya,
You can make the selections in PyMOL and save each chain separately. But if
you have to do batch processing, you're probably better off using sed:
sed -n /^.\{21\}P/p 1a55.pdb 1a55_P.pdb
sed -n /^.\{21\}Q/p 1a55.pdb 1a55_Q.pdb
sed -n /^.\{21\}R/p 1a55.pdb 1a55_R.pdb
To automate
Hello Anasuya,
On Thu, 2013-04-04 15:49 EDT, Anasuya Dighe anas...@mbu.iisc.ernet.in
wrote:
Hello,
I wanted to know if its possible in PyMOL to split a PDB file with
multiple chains,into its component chains and make smaller PDB files
corresponding to each chain.
For eg: I have a pdb
