3DNA Forum

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 ?

Best,

Pascal

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.

Xiang-Jun

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