On Wed, Jan 20, 2021 at 10:31 AM Andrew Dalke <da...@dalkescientific.com> wrote:
> So I'm leaving the supported CDK formats in chemfp to SMILES, SDF, and > InChI. And if no one asks for other formats then I don't need to do > anything. > I understand that supporting XYZ and PDB here is a "when asked". Regarding unused formats, it would help if we would have a command line conversion tool again. We used to have one, but in a retrospectively questionable decision stopped supporting that, bc we had OpenBabel. Egon -- Have you heard about Wikidata already? "Use Scholia and Wikidata to find scientific literature" is a new tutorial from my colleague Lauren Dupuis. https://laurendupuis.github.io/Scholia_tutorial/ ----- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: https://www.zotero.org/egonw ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286> ImpactStory: https://impactstory.org/u/egonwillighagen
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