You could use FORTRAN. It's good at formatted I/O.
On 06/06/13 00:37, GRANT MILLS wrote:
Dear CCP4BB,
I'm trying to write a simple python script to retrieve and manipulate
PDB data using the following code:
#for line in open("PDBfile.pdb"):
# if "ATOM" in line:
# column=line.split()
# c4=column[4]
and then writing to a new document with:
#with open("selection.pdb", "a") as myfile:
# myfile.write(c4+"\n")
Except for if the PDB contains columns which run together such as the
occupancy and B-factor in the following:
ATOM 608 SG CYS A 47 12.866 -28.741 -1.611
1.00201.10 S
ATOM 609 OXT CYS A 47 14.622 -24.151 -1.842
1.00100.24 O
My script seems to miscount the columns and read the two as one
column, does anyone know how to avoid this? (PS, I've googled this
like crazy but I either don't understand or the link is irrelevant)
Any advice would help.
Thanks for your time,
Grant
--
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
