Enables seamless modifications of atom force field parameters in the molecular modeling software package Xplor-NIH
The RUNER computational pipeline (a webserver) is designed for a fully automated calculation of force field parameters of small molecules. The pipeline utilizes several software tools and guarantees reproducibility of the parameters by utilizing a standard nomenclature across multiple stages of a computational steps. The GUI associated to the pipeline facilitates visual investigations and seamless modifications of a manually tedious steps of force field parameters adjustments.
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