Re: [Open Babel] Alias data in SD file

2013-04-28 Thread Noel O'Boyle
Why don't you try it yourself first? It's pretty much the same in Python - see the docs. - Noel On 26 April 2013 05:47, Jean-Marc Nuzillard wrote: > Le 25/04/2013 18:03, Chris Morley a écrit : >> On 24/04/2013 12:40, Jean-Marc Nuzillard wrote: >>> Dear All, >>> >>> I am presently attempting to r

Re: [Open Babel] Alias data in SD file

2013-04-25 Thread Jean-Marc Nuzillard
Le 25/04/2013 18:03, Chris Morley a écrit : > On 24/04/2013 12:40, Jean-Marc Nuzillard wrote: >> Dear All, >> >> I am presently attempting to read an SD file with Alias data at the end >> of molecule description >> such as >> ... >> A5 >> H1A >> A6 >> H1B >> A7 >> H1C >> ... >> that cau

Re: [Open Babel] Alias data in SD file

2013-04-25 Thread Chris Morley
On 24/04/2013 12:40, Jean-Marc Nuzillard wrote: > Dear All, > > I am presently attempting to read an SD file with Alias data at the end > of molecule description > such as > ... > A5 > H1A > A6 > H1B > A7 > H1C > ... > that causes the printing of warning messages such as: > Alias H1

[Open Babel] Alias data in SD file

2013-04-24 Thread Jean-Marc Nuzillard
Dear All, I am presently attempting to read an SD file with Alias data at the end of molecule description such as ... A5 H1A A6 H1B A7 H1C ... that causes the printing of warning messages such as: Alias H1A was not chemically interpreted I use OpenBabel 2.3.2 on Windows through th