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Questions and answers => RNA structures (DSSR) => Topic started by: auffinger on June 06, 2013, 02:05:52 pm

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Title: C-H...O bonds
Post by: auffinger on June 06, 2013, 02:05:52 pm
Hi Xiang-Jun,

Is there a way to define H-bond criteria for C-H...O bonds ?
Does DSSR calculate them ?
Any other hints about how to set up h-bonds in DSSR ?


Title: Re: C-H...O bonds
Post by: xiangjun on June 06, 2013, 03:30:09 pm
There are provisions in DSSR for weak H-bonding interactions, but I take them as experimental. I will not get into the details until the fundamental parts of DSSR are done and written up.


Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.