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ab initio with restraint

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ab initio with restraint
#1

Dear developers,
I would like to make an ab initio model running Rosetta under a disulfide-bonding restraint.

I typed the following command line:

./rosetta.gcc -design -series aa -protein VHBX -chain _ -s VHBX.pdb -fix_disulf conss.txt -resfile res -ndruns 2000 pdbout test1>& log

I found the error message

Error score_disulf_cendist, tempdist = 0
> ERROR: Exit from:disulfides.cc line:3160

If any one of you can help me; please, tell me how to do it correctly.

With many thanks,
best regards,
Elin Teppa.

Thu, 2008-08-28 18:42
Elin

which version are you using? and what is the content in the conss.txt?

Looks like the disulf file does not correct.

> Dear developers,
> I would like to make an ab initio model running Rosetta under a disulfide-bonding restraint.
>
> I typed the following command line:
>
> ./rosetta.gcc -design -series aa -protein VHBX -chain _ -s VHBX.pdb -fix_disulf conss.txt -resfile res -ndruns 2000 pdbout test1>& log
>
> I found the error message
>
> Error score_disulf_cendist, tempdist = 0
> > ERROR: Exit from:disulfides.cc line:3160
>
> If any one of you can help me; please, tell me how to do it correctly.
>
> With many thanks,
> best regards,
> Elin Teppa.

Tue, 2008-09-02 07:15
yiliu

I use Rosetta Version 2.3.0
Disulf file, conss.txt:

" 2 6\n"

" 3 7\n"

" 4 8\n"

" 5 9\n"

Thank you very much.

Fri, 2008-09-05 07:52
Elin