It appears that Eclipse PyDev code completion and syntax colouring was fooling
me!
Get3DDistanceMatrix is flagged as “undefined”, but code runs just fine!?
Cheers,
Steve.
From: Greg Landrum [mailto:[email protected]]
Sent: 08 May 2014 02:52
To: Stephen O'hagan
Cc: [email protected]
Subject: Re: [Rdkit-discuss] 3D-Pharmacophore fingerprints ?
Hmm, it is definitely there.
If you built from source and are using the new build it should be available as:
Chem.Get3DDistanceMatrix()
-greg
On Wed, May 7, 2014 at 3:48 PM, Stephen O'hagan
<[email protected]<mailto:[email protected]>> wrote:
I still don’t see it in the beta of the Q1 2014 release?
From: Greg Landrum
[mailto:[email protected]<mailto:[email protected]>]
Sent: 02 May 2014 15:00
To: Stephen O'hagan
Cc:
[email protected]<mailto:[email protected]>
Subject: Re: [Rdkit-discuss] 3D-Pharmacophore fingerprints ?
I can find no Get3DDistanceMatrix defined?
It is, unfortunately, a new feature. It's in the github version of the rdkit
and will be in the next release (available next week).
------------------------------------------------------------------------------
Is your legacy SCM system holding you back? Join Perforce May 7 to find out:
• 3 signs your SCM is hindering your productivity
• Requirements for releasing software faster
• Expert tips and advice for migrating your SCM now
http://p.sf.net/sfu/perforce
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
