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Pakket: libmaeparser1 (1.2.4-1build1)

parser for Schrödinger Maestro files

Maestro is a commercial "all-purpose molecular modeling environment", produced and distributed by the company Schrödinger. Maestro has its own cognate file format, typically associated with the ".mae" file extension. This package provides an Open Source parser for the Maestro file format, released and maintained by the Maestro developers.

This facilitates a lossless transition from the widely accepted suite of Schrödinger into local custom developments or the Open Source world at large. Maeparser handles output from: 

 * Molecular Dynamics applications, such as Desmond and FEP+
 * Ligand-Protein Docking applications, such as Glide
 * Homology Modeling and folding applications, such as Prime
 * Ligand-based search applications, such as Phase and Phase Shape
 * Quantum Mechanics applications, such as Jaguar
 * Protein-Protein Docking applications
 * ... many other backends used in both Life and Material Sciences

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arm64 78,3 kB306 kB [overzicht]