Hello,
I would like to add some comment strings to .pdb or .mol2 files that I
generated using the python openbabel module.
I can write the molecule easily enough with appropriately initialized
OBMol and OBConversion objects and the .WriteFile() method
But I would like to add comments, e.g. REMARK lines in the .pdb file
Currently, I'm using openbabel to generate the basic molecule file, then
re-reading it the file and inserting the comments using text insertion
capabilities of python.
Was hoping there was a cleaner option.
Searching for "write comments" on this archive didn't find any hits...
Cheers,
--Jim
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