Dear I-TASSER,
The occupancy value is the 57th-60th columns in the PDB file. Is this considered by I-TASSER? For example, will a value of "0.00" or "1.00" have a different effect (e.g. weights) for the modelling?
I ask this because Rosetta will ignore the lines with occupancy values of 0. I wonder if I-TASSER does the same.
Thank you!
Yours sincerely
Cheng
Is occupancy value in the PDB considered for I-TASSER?
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- Posts: 2
- Joined: Sat May 15, 2021 10:09 am
Re: Is occupancy value in the PDB considered for I-TASSER?
Is this the occupancy of the inputs template structures? If so I-TASSER doesn't consider this, but any residues that you desire may be removed from the template structures before uploading them.
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- Posts: 2
- Joined: Sat May 15, 2021 10:09 am
Re: Is occupancy value in the PDB considered for I-TASSER?
Yes, I mean the occupancy value in the input templates.
I want the I-TASSER to build the homology model based on the template PDB I provide. So I choose "Option I: Assign additional restraints & templates to guide I-TASSER modeling." - "Specify template without alignment" - "Upload a structure"
You said "any residues that you desire may be removed from the template structures before uploading them". This is very worrying to me. Do you mean, the I-TASSER will NOT consider the template PDB because it has occupancy values of 0?
I want the I-TASSER to build the homology model based on the template PDB I provide. So I choose "Option I: Assign additional restraints & templates to guide I-TASSER modeling." - "Specify template without alignment" - "Upload a structure"
You said "any residues that you desire may be removed from the template structures before uploading them". This is very worrying to me. Do you mean, the I-TASSER will NOT consider the template PDB because it has occupancy values of 0?
Re: Is occupancy value in the PDB considered for I-TASSER?
I-TASSER will consider the template structure without regard to the occupancy value. What I meant was if you don't want I-TASSER to consider a residue with an occupancy of 0, you may remove this residue from your template before uploading it.