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Could you please describe about advantages of CYANA2.1 and ARIA1.2 software to calculate the structure of protein ? which one can give best results ?

asked Oct 21 '11 at 03:31

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sri
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updated Oct 25 '11 at 01:15


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It has been my experience that the auto NOE assignments made by CYANA 1.2 produces more accurate structures than ARIA 1.2. For example, using ARIA 1.2 to accurately determine the structure of the beta hairpin loop in the DNA lyase domain of pol lambda, 1NZP, I had to almost completely manually assign all the NOEs involving the residues in the loop. CYANA 1.2 solved the structure accurately using only auto assigned NOEs. I found similar results when solving the structure of the pol mu BRCT domain.

The structures produced by CYANA 2.1, however, are over refined and require further solvent and/or RDC refinement using ARIA or XPLOR-NIH. The tight CYANA distance restraints must be relaxed when using XPLOR-NIH RDC refinement. CYANA 3.0 now uses RDCs and may not required further refinement.

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answered Oct 26 '11 at 15:22

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Eugene DeRose
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Hi Sri,

I meant CYANA 2.1 not 1.2 in my previous response. Sorry about that.

Eugene

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answered Oct 27 '11 at 13:03

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Eugene DeRose
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Thanks for your comments ! what can be the difference in inbuilt functions of ARIA and CYANA ? CYANA uses CANDID algorithm that combines features from NOAH and ARIA while NOESY assignment. J. Mol. Biol. 254, 465–480. J. Biomol. NMR 10, 351–362. - sri (Oct 28 '11 at 03:01)

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