RESP ESP charge DDataBase Bis & test
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R.E.DD.B. Bis & test (or 2t) allows users performing blind tests like in R.E.DD.B., and learning how a project submission has to be carried out, and more generally how R.E.DD.B. works.


Characteristic examples available in R.E.DD.B.

  New DB for DNA & RNA
From a 76 struct. RESP fit
(4 orient + 4*6 orient + 4*2 conf*6 orient)
Connolly surface & HF/6-31G*
DNA-RNA fragments
R.E.DD.B. code: F-60

20 examples...
From different RESP fits
Mol., conf. & orient. fully defined...
Connolly surface & HF/6-31G*
      Selected examples
Selection of R.E.DD.B. codes