Hi Illimar, this gist:
https://gist.github.com/ptosco/2ee199b219b27e01052a7a1433b3bd22 shows a way to achieve this. Cheers, p. On 16/12/2019 16:07, Illimar Hugo Rekand wrote:
Hello, everyone Is there a simple way to create a mol object from just the HETATM/ligand lines from a pdb-file? Would it be viable to create a function where you could create a mol object from specific lines within a pdb-file? Illimar Rekand Ph.D. candidate, Brenk-lab, Haug-lab Department of Biomedicine Department of Chemistry University of Bergen _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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