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CRD Reader and Writer for CHARMM #13

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Truman-Xu opened this issue Sep 18, 2023 · 0 comments

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Truman-Xu commented Sep 18, 2023 •

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Implement CHARMM coord card format file reader and writer. @arghya90

Using CRD instead of PDB files would allow a simpler interface between crimm and pyCHARMM.
This will circumvent the PDB file's 99999 atom limit for a large structure with solvation

Truman-Xu added this to crimm Integration with CHARMM

Truman-Xu converted this from a draft issue

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