Reply To: “CEN” atom in the pdb file

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April 14, 2010 at 9:50 am #4422
Anonymous

    > There are atoms named “CEN” in the pdb files generated by Rosetta 3.1. Many scoring functions don’t know it. Could any one tell me something about it? Any information will be appreciated. Thank you very much!

    hii

    I was able to generate the full atom mode. Use the relax mode.

    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.

    more information @ http://www.rosettacommons.org/manuals/archive/rosetta3.1_user_guide/app_relax.htmlexternal link

    I hope ths solves the problem.