[PyMOL] arranging atom records in pdb file by resid

[Thomas E. <te...@gm...>]

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 backbone atoms (apart from
Ca) occur in the correct order but the flexible sidechain atoms are at the
end of the file. That leads to some problems in visualization and analysis
of the protein-ligand complexes that I'd like to overcome. If anyone know
how to fix that problem either with PyMOL or any other program please let
me know.

thanks,
Thomas


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Thomas Evangelidis

PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE

email: te...@ph...

          te...@gm...


website: https://sites.google.com/site/thomasevangelidishomepage/