CCL: CAS number to 3D XYZ

Hi,


should return the PubChem CID

If you can get the PubChem CID then you can use a URL like this to download.


Cheers

Chris


Dr Chris Swain BA MA (Cantab) PhD CChem FRSC
Macinchem
Insanely Great Science

On 28 Oct 2011, at 14:23, S P lcqsigi : hotmail.com wrote:


Sent to CCL by: "S  P" [lcqsigi..hotmail.com]
Dear CCL,

Is there any unix/linux tool that can take a CAS number of a given molecular structure and convert it into a 3D-xyz coordinates representation?

Thanks,



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