convert pdb to mol
Closed this issue · 2 comments
Nick-Mul commented
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 commented
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 commented
Thanks Joe.