[PyMOL] Renumber Script problem

2013-01-21 Thread Alex Truong
Hi All, I've been having a bit of trouble recently with the renumber script. I have a pdb file that I'm trying to renumber, but unlike the other times I've used it, it is renumbering incorrectly. The numbers are usually spaced out 5 residues apart, but I have one number right near the beginning

Re: [PyMOL] Renumber Script problem

2013-01-21 Thread Jordan Willis
Does it have to be a pymol script. Renumbering pdbs is the bread and butter of biopython pdb module: #!/blue/meilerlab/apps/Linux2/x86_64/bin/python2.5 import sys from Bio.PDB import * from optparse import OptionParser import warnings def main(): usage = %prog input.pdb output.pdb

Re: [PyMOL] Renumber Script problem

2013-01-21 Thread Thomas Holder
Hi Alex, the renumber script only sets the residue number, it does not reorder atoms internally. Just type PyMOL sort to sort internally based on the new residue numbers. See also: http://pymolwiki.org/index.php/Sort Cheers, Thomas Alex Truong wrote, On 01/21/13 19:21: Hi All, I've

Re: [PyMOL] Renumber Script problem

2013-01-21 Thread Thomas Holder
Hi Jordan, nice script, but it does not do the same like the renumber script from the PyMOLWiki (http://pymolwiki.org/index.php/Renumber). Try this: set all residue numbers to 1, the renumber script will not care because it walks along the bonds and increases the count whenever it passes a