ERROR – PDB’s with occupancy field equal ‘1.0’

[Anonymous]

I’ve tried to dock 2 protein in Rosetta dock serve (http://rosettadock.graylab.jhu.edu/) but it always has this problem:

Occupancy Error: Submitted PDB(s) have occupancy field other then ‘1.0’. Currently we only accept PDB’s with occupancy field equal ‘1.0’. Please fix occupancy field and resubmit the job.

Even when I change all the ‘0.00’ value to ‘1.00’ value. Please check my files to see what happen ?
Thank you very much.

P/S: I change the extension of my file from .pdb to .txt

[Anonymous]

You have atoms with occupancies other than 1.00 and 0.00. For example, ClpS.txt has Leu A 40 hydrogen occupancies of 0.62, and other hydrogen atoms have other occupancy values. I would assume that the Rosetta dock server is noticing this, and flagging it for your attention.

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