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Extract interaction specifically for RNA-small molecule ligand and exclude other interactions in the output #147

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JiayiLi21 opened this issue Oct 14, 2023 · 0 comments

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@JiayiLi21
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Hi developers,

I want to extract specifically RNA-Ligand interactions from a collection of many .pdb files of RNA-Ligand complexes.
(i.e. For a structure containing Protein, DNA, RNA, and small molecule ligands, only the interaction between RNA and small molecules should be the output while other interactions should be excluded.)

It is possible to process the output .xml containing all types of interactions, but it is hard to check and process precisely. Therefore, I would prefer to meet this specific requirement from the PLIP tool. Are there any special suggestions on how to modify the source code or argument for the command line tool and output the resulting .xml or .rst file containing only RNA-small molecule information for a large set of RNA-Ligand .pdb complexes?

Many thanks!

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