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
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 --------------------------------------- _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
-- 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