Re: [Rdkit-discuss] problem with overlap in drawing.

2012-07-02 Thread Paul Emsley
For the record, there's little added complexity compiling from the svn repo than using the release tar file. On 02/07/12 11:48, Adrian Jasiński wrote: > Thanks for that, I hope it will help. I will wait for next release and > check other structures drawing. > Unfortunately I can't publish all s

[Rdkit-discuss] Beta of Q2 2012 release available

2012-07-02 Thread Greg Landrum
Today I tagged the beta for the 2012.06 (Q3 2012 in the old numbering) release in svn: http://rdkit.svn.sourceforge.net/viewvc/rdkit/tags/Release_2012_06_1beta1/ and uploaded a source distribution to the google code site: http://code.google.com/p/rdkit/downloads/detail?name=RDKit_2012_06_1beta1.tg

Re: [Rdkit-discuss] problem with overlap in drawing.

2012-07-02 Thread Adrian Jasiński
Thanks for that, I hope it will help. I will wait for next release and check other structures drawing. Unfortunately I can't publish all structures with errors (for security reasons), but I will try next version and I let you know if I will find any similar errors. 2012/7/2 Greg Landrum : > An upd

Re: [Rdkit-discuss] problem with overlap in drawing.

2012-07-02 Thread Greg Landrum
An update on this thread: On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński wrote: > > There is some example code: > > from rdkit import Chem > from rdkit.Chem import Draw > mol = Chem.MolFromSmiles('CC(=O)Nc1c1C(=O)C11C1C1') > Draw.MolToFile(mol,'test.png') > I made some change to th