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Deal with converters #222

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IAlibay opened this issue Sep 26, 2022 · 1 comment
Open

Deal with converters #222

IAlibay opened this issue Sep 26, 2022 · 1 comment

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@IAlibay
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IAlibay commented Sep 26, 2022

Currently converters are partially dealt with under the umbrella of topology & coordinate parsers. However they are not completely dealt with properly, for example neither RDKit or OpenMM are covered under gen_topologyparser_attrs.

At the very minimum we should clean this up. Ideally we should look to see if we should just separate out converters and deal with them in a separate way than standard topology/coordinate readers?
@orbeckst
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Converters deserve their own section.

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@orbeckst @IAlibay