DivCon CLI is a Command Line Interface client built on top of QBLib. It provides a text-based interface to execute calculations on computational clusters, within scripts, or in similar enviroments.
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Publication: Case Study - Where's the Proton? How accurate crystallographic refinement using QM-methods can inform this often difficult choice.
Publication: Conformational Analysis and Parallel QM/MM X-ray Refinement of Protein Bound Anti-Alzheimer Drug Donepezil
ACS Fall 2012 Philadelphia Meeting: Perspectives in Applied Computational Methods
ACS San Diego Meeting: Perspectives in Applied Computational Methods
Publication: Conformational Analysis of Free and Bound Retinoic Acid
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