MELD¶
Description¶
MELD (Modeling Employing Limited Data) is a tool for inferring the structure of biomolecules from sparse, ambiguous, or noisy data. MELD can harness such problematic information in a physics-based, Bayesian framework for improved protein structure determination. MELD was the winner of the 13th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP13) competition in the data-assisted targets category. JL MacCallum, A Perez, and KA Dill, Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference, PNAS, 2015, 112(22), pp. 6985-6990. * OPENMM_CUDA_COMPILER - CUDA Compiler
Environment Modules¶
Run module spider meld to find out what environment modules are available for this application.
Environment Variables¶
- HPC_MELD_DIR - installation directory
- HPC_MELD_BIN - executable directory
- HPC_MELD_LIB - library directory
Categories¶
chemistry, molecular_dynamics