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Hello everyone Our research group planning to study metal-ion induced structural transition using NMR. We are new to this field. Before doing the experiment,we want to do some groundwork. Hence we have an idea of simulating 2D NOESY spectrum of two structural forms of DNA deposited in PDB without any experimental NOE data and curious to know how the spectrum look like. We found out two programs relevant to our idea such as FIRM and CORMA. We started with FIRM because CORMA was a licensed one. Since we are mostly using GNU linux system, FIRM was unable to compile as it was written exclusively for SGI Irix and SUN sparc. Can anyone suggest ways or programs compatible to GNUlinux for calculating NOE distances from coordinates thereby simulate 2D spectrum? Every suggestion on this regard would be highly appreciated. Thanks in advance.

asked May 05 '14 at 11:18

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karthik
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Have a look at IRMA2:

http://www.nmr.chem.uu.nl/Software/Files/irma2_manual.html

IRMA2 is free for academic use but requires to sign and fax a license form.

An alternative would be to use g_rmsdist from GROMACS Tools, but I think it doesn't compute the relaxation matrix.

link

answered May 19 '14 at 13:03

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Thomas
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Asked: May 05 '14 at 11:18

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Last updated: May 19 '14 at 13:03

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