14 lines
768 B
Plaintext
14 lines
768 B
Plaintext
maeparser is a C++ library developed by Schrodinger for efficiently and
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losslessly parsing Maestro files, which serve as Schrodinger's primary
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output format for storing molecular structures and data. This parser is
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crucial for any software package needing to interact with Schrodinger's
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physics-based modeling outputs.
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It supports various applications in computational chemistry, including
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molecular dynamics, ligand-protein docking, and quantum mechanics. The
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library utilizes a recursive descent approach, prioritizing parsing speed
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to ensure quick and accurate extraction of data from .mae, .maegz, and
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.mae.gz structure files. These files can contain multiple structures,
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delimited by "f_m_ct", with standard block and property names defined in
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MaeConstants.hpp.
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