Conf
Collects all the information from a conformation space, combines it with forcefield parameters, and emits a TOML file that describes the parameterized conformation space to Osprey in a totally unambiguous way.
Constructors
Types
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data class Report(warnings: List<CompilerWarning>, error: CompilerError?, compiled: CompiledConfSpace?)
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Functions
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fun compile(concurrency: Int = Parallelism.getMaxNumCPUs()): CompilerProgress
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Compiles the conf space and the forcefields. If something goes wrong, the errors are collected and returned in the compilation report.