[phenixbb] Ignoring SegIDs

[Stephen Graham]

Thanks, that works well.

I'm not sure if it is necessary, but I modified the script to get rid
of segIDs in ANISOU cards too as follows:

---------------------------------- cut ---------------------------------------
import sys

def run(args):
 for file_name in args:
   for line in open(file_name).read().splitlines():
     if (   line.startswith("ATOM")
         or line.startswith("HETATM")
         or line.startswith("ANISOU")):
       line += " " * max(0, 80-len(line))
       line = line[:72] + "    " + line[76:]
     print line.rstrip()

if (__name__ == "__main__"):
 run(sys.argv[1:])
---------------------------------- cut ---------------------------------------

Cheers,

Stephen

On 4/9/08, Ralf W. Grosse-Kunstleve <rwgk at cci.lbl.gov> wrote:
> Hi Stephen,
>  We are addressing this problem for the next release. With the
>  current release, the best approach is to blank out the segid
>  columns, for example with the small script below.
>  Ralf
>
>  Usage:
>   phenix.python blank_out_segid.py original.pdb > modified.pdb
>
>  ---------------------------------- cut ---------------------------------------
>  import sys
>
>  def run(args):
>   for file_name in args:
>     for line in open(file_name).read().splitlines():
>       if (   line.startswith("ATOM")
>           or line.startswith("HETATM")):
>         line += " " * max(0, 80-len(line))
>         line = line[:72] + "    " + line[76:]
>       print line.rstrip()
>
>  if (__name__ == "__main__"):
>   run(sys.argv[1:])
>  ---------------------------------- cut ---------------------------------------
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-- 
Dr Stephen Graham
Nuffield Medical Fellow
Division of Structural Biology
Wellcome Trust Centre for Human Genetics
Roosevelt Drive
Oxford OX3 7BN
United Kingdom
Phone: +44 1865 287 549