Reply To: some application troubles when using resfile flag

Member Site › Forums › Rosetta 3 › Rosetta 3 – Applications › some application troubles when using resfile flag › Reply To: some application troubles when using resfile flag

April 8, 2011 at 12:27 am #5317
Anonymous

    If it does not recognize your CA yet, try playing with the spacing. There are two letters in a four-column field, so there are 3 ways to space it. I’ve replaced spaces with dashes to illustrate:

    CA–
    -CA-
    –CA

    I don’t know which one is correct.

    I don’t know anything more about molfile_to_params than is in its help (molfile_to_params.py -h). It’s in src/python/apps/public.

    I’ve emailed the guy who knows about making rotamer libraries to see if it’s possible in 3.2.