VMD-L Mailing List
From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Mar 23 2016 - 06:19:22 CDT
To the developers,
I'd like to report that VMD writes very unuseful values to the residue
numbers column in PDB and GRO format, when the system size very large.
Instead of simple restarting the numbering from 1 it uses hexadecimal
values, which is a problem for some PDB reader codes. The main BUG IMHO is,
that after also the hexadecimal values run out, VMD seems to use any
characters to continue the numbers and starts using only sequences of ****
for consecutive residues, making the residue number completely useless to
detect different residues.
So basically I think the numbers should just restart from 1 when reaching
9999. So any other PDB/GRO reader can simply count on its own, having the
reliable changing residue identifier.