On Wed, Sep 29, 2010 at 2:56 PM, Michael Krein <[email protected]> wrote:
> but iload using any/all options still bombs with,
>> iload.molecules("157.poly.sdf", aromaticity=FALSE, typing=FALSE,
>> isotopes=FALSE)
This will work if you also specify the type='sdf' argument.
--
Rajarshi Guha
NIH Chemical Genomics Center
------------------------------------------------------------------------------
Start uncovering the many advantages of virtual appliances
and start using them to simplify application deployment and
accelerate your shift to cloud computing.
http://p.sf.net/sfu/novell-sfdev2dev
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user
