RESP ESP charge DDataBase: R.E.DD.B.

RESP ESP charge DDataBase
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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.

R.E.DD.B. project selection: molecules & fragments
Conformations & orientations fully defined, reproducible charge values.

A R.E.DD.B. project contains force field library(ies) and force field parameters allowing the study of complex molecular systems by molecular dynamics simulation. R.E.DD.B. uses Jmol/Java and JSmol/Javascript applets to display atomic charges, atom types and atom names embeded within force field libraries as well as molecular electrostaic potentials computed from atomic charges.

WHOLE MOLECULES = 80 - MOLECULE FRAGMENTS = 94

Last update of the R.E.DD.B. Home Page: October 4th, 2021.

R.E.DD.B. projects free.
Université de Picardie Jules Verne - Sanford Burnham Prebys Medical Discovery Institute.
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