On 08:02 Tue 14 Dec , Charles W. Carter, Jr wrote:
> I've run aground trying to find a program to write out individual pdb
> files from a long file with multiple (>100) models. My file does not
> contain separate chain IDs, so I cannot use moleman2 or splitpdb.p. I
> want to retain informati
Well it's not as impressive as some solutions posted, but three lines of awk
will
do the job too. Search for END or ENDMDL as you wish.
BEGIN {file = 0; filename = "charlie_" file ".pdb"}
/ENDMDL/ {getline; file ++; filename = "charlie_" file ".pdb"}
{print $0 > filename}
Call this script "char
On Tue, 2010-12-14 at 08:02 +0100, Charles W. Carter, Jr wrote:
> I've run aground trying to find a program to write out individual pdb files
> from a long file with multiple (>100) models. My file does not contain
> separate chain IDs, so I cannot use moleman2 or splitpdb.p. I want to retain
>
Hi Charlie,
This may not be what you want, but this perl script seemed to work just now on
1g9e.pdb
$base='1g9e';open(IN,"<$base.pdb");@indata = ;$i=0;
foreach $line(@indata) {
if($line =~ /^MODEL/) {++$i;$file="${base}_$i.pdb";open(OUT,">$file");next}
if($line =~ /^ENDMDL/) {next}
if($line
Hi Charlie,
hope there are simpler solutions. Meanwhile, here is the universal one -:) :
step 1:
save the lines below (between *) in a file called split_pdb.py:
*
import os
import iotbx.pdb
import sys
def run(args):
pdb_inp = iotbx.pdb.input(file_name = args[0])
hierarchy = pdb_inp
I've run aground trying to find a program to write out individual pdb files
from a long file with multiple (>100) models. My file does not contain separate
chain IDs, so I cannot use moleman2 or splitpdb.p. I want to retain information
about ligands, and so do not want to use drussel's program.
