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- W2326297970 abstract "Ensemble/Legacy is a toolkit extension of the Object Technology Framework (OTF) that exposes an object oriented interface for accessing and manipulating ensembles (collections of molecular conformations that share a common chemical topology) and driving Legacy programs (such as MSMS, AMBER, X-PLOR, CORMA/MARDIGRAS, Dials and Windows, and CURVES). Ensemble/Legacy provides a natural programming interface for running Legacy programs on ensembles of molecules and accessing the resulting data. Using the OTF reduces the time cost of developing a new library to store and manipulate molecular data and also allows Ensemble/Legacy to integrate into the Chimera visualization program. The extension to Chimera exposes the Legacy functionality using a graphical user interface that greatly simplifies the process of modeling and analyzing conformational ensembles. Furthermore, all the C++ functionality of the Ensemble/Legacy toolkit is wrapped for use in the Python programming language. More detailed documentation on using Ensemble/Legacy is available online (http:¿picasso.nmr.ucsf.edu/dek/ensemble. html)." @default.
- W2326297970 created "2016-06-24" @default.
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- W2326297970 date "1999-12-01" @default.
- W2326297970 modified "2023-09-25" @default.
- W2326297970 title "THE ENSEMBLE/LEGACY CHIMERA EXTENSION: STANDARDIZED USER AND PROGRAMMER INTERFACE TO MOLECULAR ENSEMBLE DATA AND LEGACY MODELING PROGRAMS" @default.
- W2326297970 doi "https://doi.org/10.1142/9789814447331_0024" @default.
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