Hi Krisztina,
Welcome to the relax-users mailing list. Before answering your
question, I have to warn you that my opinion will be biased as I am
the administrator for the project relax. You may get a few
not-so-biased responses from others.
I have encountered that Modelfree4 error a long time ago but can't
remember what the problem is. One way to solve these issues would be
to use relax to control the Modelfree4 program. relax will create the
input files for Modelfree4, execute the program, and then read the
output. relax will also do this with Dasha. You can then apply all
of the other model-free data analysis steps (such as model selection,
etc.) using relax.
However if you are using relax, you can use the inbuilt optimisation
algorithms. These algorithms default to a much higher precision than
both Dasha and Modelfree4. Although relax interfaces with Dasha and
Modelfree4, these programs are not required. You can implement the
full model-free data analysis chain, which ever one you wish, using
relax. It should be flexible enough to not only implement standard
model-free analysis, whatever that may be, but also many of the twists
present in the literature.
As for which program is better, relax is of course ;) As for which is
more user friendly, as I wrote the program prior to turning it into an
open community project - there is no way that I could possibly tell.
However I have tried to design the program to be as simple as possible
to use while at the same time being highly flexible. The relax manual
in combination with the sample scripts should help you get started
(along with some of the info at http://www.nmr-relax.com/). If you
have any questions, don't hesitate to ask on this list. You can
search to see if your question has been asked before at the bottom of
the link http://www.nmr-relax.com/communication.html.
Bye,
Edward
On 10/20/06, Krisztina Z. Bencze <kbencze@xxxxxxxxxxxxx> wrote:
Hi All,
I am new to this mailing list. I am struggling to get Modelfree4 working on
my data. I got macros that will create the input files for me and even
though the Modelfree4 manual says that the input files are free format files
I get the error message: Error during input, file=mfpar ERROR = 9
Modelfree4 runs well with the testing files that come with it, but it would
not run with my data.
Should I turn to work with the program relax?
I have never analyzed dynamics data so I cannot judge which program is
better and more user-friendly.
Thank you in advance,
Krisztina
Krisztina Z. Bencze, Ph.D.
Research Associate
Wayne State University
Department of Biochemistry and Molecular Biology
Scott Hall, Rm. # 4323
540 E. Canfield Ave.
Detroit, MI, 48201
phone: (313) 577-0186
fax: (313) 577-2765
E-mail: kbencze@xxxxxxxxxxxxx
Re: Input files for running Modelfree4