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Thread: Nmr

  1. #1
    Join Date
    Aug 2005
    Location
    Hungary
    Beans
    10

    NMR analysis software

    Hi,

    I would like to ask for help in the followings: We use MestRe-C for the analysis of NMR spectra. I am a Debian user and would like to ask whether there is a useful alternative of this program. I know there are MestRe-C deb packages available but they are valid for a trial period of 45 days and I am looking for a free equivalent. So far I found matNMR and relax. The former uses matlab which I do not have, the latter stops with syntax error (despite fulfilled dependecies). I also found NMRview that could be very useful but I do not find how to convert the files readable for this program created by XWINNMR (we have an old Bruker). NMRpipe is known for me but still did not get any answer to my email.

    I am looking for a free Linux program (Debian package is preferred) that can handle the files created by XWINNMR and has basic analysis functions (FID FT, peak picking, integral etc.).

    I would appreciate any kind of help.

    Daniel
    Last edited by dfodor; June 25th, 2009 at 10:37 PM.

  2. #2
    Join Date
    Apr 2007
    Beans
    61

    Re: Nmr

    Hi,
    Ive been looking for the same thing for ages but with no luck.
    Instead of a native linux program i use wNUTS NMR (got a free student licence to get the full package, but the demo version does everything except 2d nmr) and SpinWorks through wine. It occassionally crashes, but not often, and files can be exported easily to open office docs as well.
    If u do find a good linux native alternative please post it here.

    Hope that helps,
    Steve

    EDIT: I've just got a copy of mestrec working under wine as well, so if u have a working copy on a windows partition u can copy it (the whole folder) to ur linux partition and it just works.
    Last edited by huggies15; July 8th, 2009 at 10:32 PM.

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