Select atoms based on expressions with NSL-like variables, standard mathematical and logical operations.
This extension allows selecting atoms based on expressions with the usage of NSL-like variables (NSL - Node Specification Language), standard mathematical and logical operations.
Documentation
Please, refer to the Simple Script tutorial for more information, an example for the Atoms Selector is placed in the end of the tutorial.
References
Parsing and evaluation of expressions is done thanks to the C++ Mathematical Expression Parsing And Evaluation Library exprtk by Arash Partow.
Atoms Selector is an extension for SAMSON,
the integrative platform for molecular design.
To use Atoms Selector:
1. Create your free account
and choose a molecular design plan
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2. Download
and install SAMSON on your computer
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3. Come back to this page to add the extension to
your account
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When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.