Great! Many thanks for your help!
Mingyue
2011-12-01
Mingyue Zheng, Ph.D.
Drug Discovery and Design Center (DDDC)
Box 1201, Shanghai Institute of Materia Medica.
No. 555 Rd. Zuchongzhi, Shanghai, China
Tel: 86-021-50806600-1308
Email: myzh...@mai
Fixed in trunk in r4679.
See
https://sourceforge.net/tracker/index.php?func=detail&aid=3431239&group_id=40728&atid=428740
- Noel
On 31 October 2011 19:34, Chris Morley wrote:
> I have added this to bug #3431239 to which it seem be related.
>
> With its stereochemistry mol1 fails when making a
I'll try and sort out SMARTS stereo this side of Christmas. There are
several pieces to be done.
- Noel
On 31 October 2011 19:34, Chris Morley wrote:
> I have added this to bug #3431239 to which it seem be related.
>
> With its stereochemistry mol1 fails when making an FP4 fingerprint (lots
> of
I have added this to bug #3431239 to which it seem be related.
With its stereochemistry mol1 fails when making an FP4 fingerprint (lots
of SMARTS matching). But without the stereochemistry it is ok.
Chris
On 31/10/2011 16:37, Mingyue Zheng wrote:
> Hi all,
> I found my python script unexp
