31 January 2014

546. NMR on Debian Wheezy: ACD/LABS NMR under Wine

I'm currently exploring options for processing NMR data on linux (see e.g. here for nmrnotebook). There are four categories of programs:
* proprietary/for-cost running natively on linux

* proprietary/non-open source but gratis running natively on linux
* gratis and open source running natively on linux

* windows programs that happen to run ok in wine

ACD/LABS belongs to the last category, and as such is not an ideal solution. However, at this point I'm willing to try just about anything.

So yes, this relies on you having wine installed, but sometimes we need to be pragmatic like Torvalds rather than dogmatic like Stallman (the world needs both of them).

Either way:

First register at http://www.acdlabs.com/account/register.php?redirect=/account/logout.php

Then download


Install by running
wine ~/Downloads/nmrproc_academia12.exe

Go through the installation steps:

Running the software

For most of the steps below there's little need to provide a commentary:

I could only get it to fit by hitting 'Auto'

However, 'Auto' did respect my choice of function e.g. lorentzian vs mixed.

You can export the data as simple ascii files

In conclusion I must say that I'm fairly happy with this piece of software. I haven't used it for production purposes, so I can't vouch for it spitting out reliable data though. It's definitely worth exploring though.

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