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[modeller_usage] HETATM reading
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] HETATM reading
- From: Seth Tanner <cryoexp AT gmail.com>
- Date: Mon, 7 Feb 2011 00:04:55 +0200
I have a HETATM entry at the end of one of my protein chains.
I have included the "env.io.hetatm = True" statement in my code. I have also included "." residues in my alignment file for each HETATM residue and formed a separate chain out of them using the "/" separator. I did this in both the template sequence and in the sequence to be modelled. However, I still get the following error:
--
read_te_290E> Number of residues in the alignment and pdb files are different: 1566 1560
For alignment entry: 1 1GWP.pdb
x (mismatch at alignment position 1561)
Alignment KLFHIRTGNMDTYYWHRYT..
PDB KLFHIRTGNMDTYYWHRYT
Match ********************
--
It appears that Modeller cannot read the HETATM entries in the PDB file.
I wonder if anyone has a suggestion.
Thanks.