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Revisit method for parsing solvent input for plots in MDPOW.mdpow.workflows.dihedrals #240

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cadeduckworth opened this issue Feb 11, 2023 · 0 comments · Fixed by #243
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Revisit method for parsing solvent input for plots in MDPOW.mdpow.workflows.dihedrals #240

cadeduckworth opened this issue Feb 11, 2023 · 0 comments · Fixed by #243
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@cadeduckworth
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  • link to future PR that deals with adding Mol image to plots
  • test with one solvent, i.e., solvents=('water', )
  • test with toluene, all others available, etc
@cadeduckworth cadeduckworth linked a pull request Mar 25, 2023 that will close this issue
Dihedral Plots: RDKit Mol Object #243
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Dihedral Plots: RDKit Mol Object Becksteinlab/MDPOW
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@orbeckst @cadeduckworth