Difference between revisions of "MODELLER"
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Revision as of 14:16, 27 May 2022
Description
MODELLER is used for homology or comparative modeling of protein three-dimensional structures (1,2). The user provides an alignment of a sequence to be modeled with known related structures and MODELLER automatically calculates a model containing all non-hydrogen atoms. MODELLER implements comparative protein structure modeling by satisfaction of spatial restraints (3,4), and can perform many additional tasks, including de novo modeling of loops in protein structures, optimization of various models of protein structure with respect to a flexibly defined objective function, multiple alignment of protein sequences and/or structures, clustering, searching of sequence databases, comparison of protein structures, etc. MODELLER is available for download for most Unix/Linux systems, Windows, and Mac.
Environment Modules
Run module spider modeller to find out what environment modules are available for this application.
System Variables
- HPC_MODELLER_DIR - installation directory
- HPC_MODELLER_BIN - executable directory
- HPC_MODELLER_DOC - documentation directory
- HPC_MODELLER_EX - examples directory