PS. on second thought, these are all wrong: > ============================== > *** Open Babel Warning in InChI code > 2mal.pdb :Too many atoms
If it's "too many to process" then it's an *error*. If it's a *warning*, then it's "a lot of atoms, processing may take a long time". > ============================== > *** Open Babel Error in InChI code > InChI generation failed So what's the error? The obvious assumption is "too many atoms", but is it really the case? -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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