[phenixbb] Ignoring SegIDs

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Apr 9 09:12:13 PDT 2008


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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