RESP ESP charge DDataBase
R.E.DD.B. is a database of RESP and ESP charges of high quality and reproducibility, and force field libraries for small molecules and molecular fragments: A database for computational biologists involved in AMBER, CHARMM, GLYCAM & OPLS force field based biological studies.
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
From different RESP fits
Mol., conf. & orient. fully defined...
Connolly surface & HF/6-31G* Selected examples
R.E.DD.B. code selection
Last update of the R.E.DD.B. Home Page: June 20th, 2012.