Reply To: I’m a total beginner to Rosetta 3.2 and there are no tutorials for me to follow. Can someone help.? =)

Member Site Forums Rosetta 3 Rosetta 3 – General I’m a total beginner to Rosetta 3.2 and there are no tutorials for me to follow. Can someone help.? =) Reply To: I’m a total beginner to Rosetta 3.2 and there are no tutorials for me to follow. Can someone help.? =)

#4945
Anonymous

    haha, i totally agree on that.!

    This is one of the options in the flag for ligand docking:

    -out
    ## These channels generate a LOT of output,
    ## especially with -improve_orientation.
    -mute protocols.geometry.RB_geometry core.scoring.dunbrack.SingleLigandRotamerLibrary core.scoring.rms_util
    ## Number of trajectories to run (per input structure given with -s)
    -nstruct 500
    ## With multiple processes, ensures a unique name for every output structure.
    ## Each process should get a different string here, so you can’t really
    ## put it in the FLAGS.txt file, it has to go in the Condor script:
    #-suffix 3
    -file
    ## I prefer output structures with Rosetta numbering, from 1 to N residues.
    ## To keep the original PDB numbering, omit this flag:
    -renumber_pdb
    -path
    ## Where to write the silent.out file. Specified in my Condor script.
    #-pdb work/jnk_pp_1_001/3

    So, I don’t think I can change it to output as pdb files instead. And using the extract_pdbs.linuxgccrelease, it says “bad format in first line of silent file”, then the process stopped after a while, not generating any pdb files. What can I do to resolve any of these issues? =D

    In addition, is there any difference in using extract_pdbs or extract_atomtree_diffs.linuxgccrelease? Also, I encountered a ‘unrecognized aa 100’ error when using ligand_rpkmin.linuxgccrelease, what does it mean?