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Author Topic: Methodology for sugar puckering calcualtion  (Read 79838 times)

Offline aneeshcna

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Methodology for sugar puckering calcualtion
« on: July 23, 2010, 05:30:10 am »
Dear 3DNA users,

                Can anyone tell me what methodology ( mathematics) 3DNA using for calculating sugar puckering in nucleotides ( any reference ) ?.

Thanks in advance

Sincerely
Aneesh
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Offline xiangjun

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Re: Methodology for sugar puckering calcualtion
« Reply #1 on: July 23, 2010, 07:34:52 pm »
The reference is: Altona, C. & Sundaralingam, M. (1972) "Conformational analysis of the sugar ring in nucleosides and nucleotides. A new description using the concept of pseudorotation." J. Am. Chem. Soc. 94, 8205-8212. See the SHCNAaP paper for further details; as mentioned in Section SCHNAaP/SCHNArP of the forum, [mono:2tedyoak]analyze[/mono:2tedyoak] in 3DNA is derived directly from SCHNAaP.

HTH,

Xiang-Jun
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Dr. Xiang-Jun Lu［律祥俊］
Email: xiangjun@x3dna.org
Homepage: https://x3dna.org
wDSSR: https://web.x3dna-dssr.org
GitHub: https://github.com/x3dna-dssr

Offline aneeshcna

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Re: Methodology for sugar puckering calcualtion
« Reply #2 on: July 24, 2010, 01:34:49 am »
Dear Dr. Xiang-Jun,

Thanks for your quick reply


regards
Aneesh
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