Dear PyMOL users/developers,
Is there any way to rearrange the atom records in a .pdb file according to
their residue ID? I have run Vina with flexible sidechains and then
concatenated the rigid receptor part with the sidechain conformations for
each pose. That resulted to .pdb files where the
Hi Thomas,
Probably something like this should do something close to what you need:
sed -n '/^\(ATOM\|HETATM\)/s/^.\{16\}\(.\{10\}\)/\1 \0/p' file.pdb | sort
-n -k 3 | cut -b 11-
Hope it helps,
Tsjerk
On Thu, May 30, 2013 at 10:21 AM, Thomas Evangelidis teva...@gmail.comwrote:
Dear PyMOL
