CCL: CHIME string conversion
- From: "Wolf-D. Ihlenfeldt"
<wdi|-|xemistry.com>
- Subject: CCL: CHIME string conversion
- Date: Wed, 9 Aug 2006 19:23:05 -0400
Sent to CCL by: "Wolf-D. Ihlenfeldt" [wdi,,xemistry.com]
Christian,
I guess you are talking about the compressed molfile strings Chime uses?
The CACTVS toolkit (www.xemistry.com/academic, free for academic use) can
read and write them, and convert them into *all* of your desired formats.
Please contact me directly for more details.
W. D. Ihlenfeldt
Xemistry GmbH
wdi^_^xemistry.com
> -----Original Message-----
> From: owner-chemistry^_^ccl.net [mailto:owner-chemistry^_^ccl.net]
> Sent: Wednesday, August 09, 2006 3:53 PM
> To: Ihlenfeldt, W.d.
> Subject: CCL: CHIME string conversion
>
> Sent to CCL by: "Christian Pilger"
> [christian.pilger^^^gmx.net] Dear CCLers,
>
> are you aware of software allowing for the conversion of the
> MDL CHIME string format into something other like SMILES,
> Tripos-mol2, MDL-mol etc. ? I checked openbabel but it does
> not seem to be suited for this task.
>
> Regards,
>
> Christian
>
>
>
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