(no subject)

Andy Sheppard andy at ferring.demon.co.uk
Wed Jan 31 05:02:10 EST 1996


In article <4eknnd$635 at netserver.univ-lille1.fr>, Philippe CHAVATTE
<philippe at icpl2.univ-lille2.fr> wrote:

>I look for a software which can convert structures 2D or 3D in SMILES chemical
>notation line.
>        Thanks in advance.

To convert SMILES to 3D, use the CONCORD program.

To convert a 3D structure to SMILES, use Sybyl's MedChem command.

Andy Sheppard
andy at ferring.demon.co.uk



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