Re: [modeller_usage] Hybrid-36 Numbering Support in Modeller
To: dms305 <>, "" <>
Subject: Re: [modeller_usage] Hybrid-36 Numbering Support in Modeller
From: Modeller Caretaker <>
Date: Tue, 26 Feb 2019 17:34:17 -0800
On 2/25/19 11:25 PM, dms305 wrote:
When using the complete_pdb.py script bundled with Modeller to complete
PDB 5GJQ, the resulting PDB model has more than 99999 atoms, which
leaves atoms with a numerical ID greater than this with IDs "*****" when
the PDB is written out to a file. Is it possible to enable hybrid-36
numbering support in Modeller so that these IDs can be used in
downstream analysis?
Sure, that's easy enough to add for atom serial numbers, and will be in
the next release (although many programs, including Modeller and
Chimera, ignore the atom serial number anyway). You'll still need to
renumber residues (e.g. starting at 1 for each chain) otherwise you'll
run into the same problem with residue numbers in the PDB file. That is
less straightforward to fix though because Modeller's internal residue
number has the same limits as the PDB format.