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Load topology from JSON file #319
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enhancement
New feature or request
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to add to this we could also directly generate a tpr file. This way we save the grompp step ... |
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Adding support for loading molecule topologies from JSON files. For large and simple systems, JSON-based topology files are easily created and speed up the generation of the topology object tremendously. (i.e., for the 500Kb chromosome)
An initial idea for implementing this would be simply using the
from_json
function of theMetaMolecule
class in order to add all the molecules iteratively to an empty topology object.The text was updated successfully, but these errors were encountered: