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CS-Rosetta fragments

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CS-Rosetta fragments

I am not sure that this is the right forum to post my question as I am using CS-Rosetta instead of Rosetta, but nevertheless it may be worth a try. I have been trying to generate fragments using the script. It can generate the initial ** files correctly. However, it does not generate the ** files correctly (they are empty). There may be an issue with the script but I am not sure what. It keeps telling me that there is an error in the fragment candidates. I am using a solid state CS table, but I believe that should not be an issue. It also generated 200 fragment candidates, so the CS table should be fine. I tried using the script separately but that gave me the same error message.

Any help would be highly appreciated.


Sun, 2010-05-16 08:08

Hi Ishita.
I have a bit of experience with the software. Were you able to generate the files using the tutorial examples? I've found that if the chemical shifts are mis-referenced, or the chemical shift dispersion has a very wide range, or etc. etc. then the mfr program is not able to find fragments which correlate with your given shifts, and you will find that you have empty fragment files and receive this kind of error message.

Tue, 2010-06-15 19:51