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External support #7

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mattwthompson opened this issue Feb 3, 2019 · 1 comment
Open

External support #7

mattwthompson opened this issue Feb 3, 2019 · 1 comment
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attention Something to take note of best-practice core feature discussion

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@mattwthompson
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mattwthompson commented Feb 3, 2019 •
edited by daico007
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Keeping track of various classes in other packages we want to convert to and/or from

Data structure Package Typed or Un-typed? Converting from Converting to
Compound mBuild Un-typed Support Support
Structure ParmEd Either Partial support Partial support
Topology MDTraj Either
Topology/Modeller/System OpenMM Either? #371 #99, #371
networkx Graph Either?
Open Babel Molecule/others Un-typed
@mattwthompson mattwthompson pinned this issue Feb 9, 2019
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PySIMM has a much smaller scope than this package but at some point conversions to/from it could be supported

https://github.com/polysimtools/pysimm

This was referenced Feb 7, 2020
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