generate full atom coordinates with abinitio rosetta structure prediction

[Anonymous]

Hii everyone!!

I have tried using the flag out:file:fullatom to generate full atom coordinates in the pdb files, but, it still uses the centroid mode to give CEN atom instead of all the side chain atoms. It shall be very kind of you if u help me out of this problem.

Thanking u

Anusmita

[Anonymous]

> Hii everyone!!
>
> I have tried using the flag out:file:fullatom to generate full atom coordinates in the pdb files, but, it still uses the centroid mode to give CEN atom instead of all the side chain atoms. It shall be very kind of you if u help me out of this problem.
>
> Thanking u
>
> Anusmita

We got the same problem。。。。。。。。。。(:frown:)

[Anonymous]

Thank you, for the suggestion.

the relax mode is working fine. I am now able to convert cantroid mode to full atom mode by giving relax.linuxgccrelease -database path_of_rosetta_database -s input_pdb_wth_CEN_atoms -relax:fast.

This worked well, but takes 20 min to do the job for 1 pdb file.

Thanx again for the suggestion.
more information @ http://www.rosettacommons.org/manuals/archive/rosetta3.1_user_guide/app_relax.html

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