Reads, writes, and converts molecular file formats (SMILES, InChI, SDF V2000/V3000, MOL2, PDB, and BinaryCIF) using RDKit and Open Babel with rigorous handling of aromaticity perception, stereochemistry, implicit/explicit hydrogens, kekulization, and salt/fragment separation. Use when loading chemical libraries, debugging parse failures, or preparing molecules for downstream standardization, descriptor calculation, or docking.
How to install molecular-io?
gptomics/bioskills/molecular-io
$npx -y skills add gptomics/bioskills --skill molecular-ioInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/gptomics/bioskills" --skill "gptomics/bioskills/molecular-io"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/gptomics/bioskills" that are relevant to the current task. Run `npx skills add "https://github.com/gptomics/bioskills"` and select the relevant skills, then follow their instructions.
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