Error in final PDB model generated by I-TASSER standalone program

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rupesh
Posts: 4
Joined: Tue May 17, 2022 10:15 am

Error in final PDB model generated by I-TASSER standalone program

Post by rupesh »

Hello,
While running the standalone I-TASSER program for structure prediction, at times I have encountered a problem with one of the predicted final models. The coordinates for atoms in a few residues show some weird values which defy the standard format of a PDB file. The closc and combo files however do not show such deviation. It happens randomly, irrespective of the parameters used for modeling. I am attaching a snap of the said residue coordinates. Please look into the issue.
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coor_problem.png
coor_problem.png (117.12 KiB) Viewed 203 times
zcx@umich.edu
Posts: 24
Joined: Wed Nov 03, 2021 5:59 pm

Re: Error in final PDB model generated by I-TASSER standalone program

Post by zcx@umich.edu »

This is an issue related to the EMrefinement.pl script of I-TASSER. Could you send us the closc*pdb, combo*pdb and model*pdb files of your job as a zip file? We can further check what the issue is.
rupesh
Posts: 4
Joined: Tue May 17, 2022 10:15 am

Re: Error in final PDB model generated by I-TASSER standalone program

Post by rupesh »

Thank you for your response. The zipped file is attache here.
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I_TASSER.tar.gz
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