Chemical Formats and sharing chemical data and tools

Looking at

All of them, one example

All the links under “Alternative Parents” go to “502 Bad Gateway nginx”

Looks like everything under “Chemical Taxonomy” are 502 as well

pdb and 3D pdb, sdf and 3D sdf, mol and 3D mol all are being given the same extension. I was saving the names as “PDB for” and “3D PDB for” in the name. You could say .3D_pdb or .3D_sdf or .3D_pdb.

In the 3D files it would be nice if you added the SMILES and InChi descriptors.

Richard Collins, The Internet Foundation


Richard K Collins

About: Richard K Collins

Director, The Internet Foundation Studying formation and optimized collaboration of global communities. Applying the Internet to solve global problems and build sustainable communities. Internet policies, standards and best practices.

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