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convert pdb to mol #38

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Nick-Mul opened this issue Nov 13, 2022 · 2 comments
Closed

convert pdb to mol #38

Nick-Mul opened this issue Nov 13, 2022 · 2 comments

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@Nick-Mul
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Nick-Mul commented Nov 13, 2022 •
edited

Not an issue, the package looks great but I was looking to feed a ligand into the MolecularGraph.jl package and I was wondering if you had a suggestion of how to convert a ligand.pbd into a mol/sdf in Julia?
@jgreener64
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It can't be done with BioStructures.jl but it looks like MOL2 and SDF are supported file formats in Chemfiles.jl, so you could try that.

@Nick-Mul
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Thanks Joe.

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@jgreener64 @Nick-Mul