Hi all,
Hopefully this is easy, but I have an ROMol object that I want to convert
into a PDB file. It seems to me that the MolToPDBFile is exactly what I
should be using, but I am missing the protons in the resulting file.
What's weird is that the input file has protons, and I have added a step to
protonate the molecule after reading just to ensure that they are there.
Any idea of how to move through this?
Thanks in advance!
Matt
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