verything from HMDB
into RDKit, it seeems.
Curt
On Wed, Jan 11, 2017 at 11:39 AM, Steve O'Hagan
<soha...@manchester.ac.uk <mailto:soha...@manchester.ac.uk>> wrote:
With same code and fresh file download, works fine for me without
error.
ms contains 35177 molecules. Per
With same code and fresh file download, works fine for me without error.
ms contains 35177 molecules. Perhaps your download was corrupt?
On 11/01/2017 18:26, Milinda Samaraweera wrote:
Dear Experts,
I was trying to read in the attached SD file (downloaded from HMDB)
and trying to calculate
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