Re: [Open Babel] SDF M-block

2013-10-07 Thread Geoffrey Hutchison
M CHG 2 3 1 6 -1 is illegal. Is there a way to make openbabel understand this line? What on earth is it trying to indicate? It seems like you have a lot of non-standard SDF files. What is the source? -Geoff

Re: [Open Babel] problems with python libraries

2013-10-07 Thread Noel O'Boyle
If that solved your problem, then your problem was the PATH. You can check the path that Python sees with import sys; print(sys.path). If the Open Babel directory is on the PATH, then the only thing I can think of is that you opened a command prompt window before the PATH was updated. If want to

Re: [Open Babel] problems with python libraries

2013-10-07 Thread Dimitri Maziuk
On 10/07/2013 12:58 PM, Michal Krompiec wrote: import sys; print(sys.path) ['', 'C:\\Python27\\Lib\\idlelib', 'C:\\Windows\\system32\\python27.zip', 'C:\\Python27\\DLLs', 'C:\\Python27\\lib', 'C:\\Python27\\lib\\plat-win', 'C:\\Python27\\lib\\lib-tk', 'C:\\Python27',

Re: [Open Babel] problems with python libraries

2013-10-07 Thread Noel O'Boyle
Regarding the difference between the paths, that's my mistake. One is the system PATH, the other is where Python searches for .py files.. - Noel On 7 October 2013 18:47, Michal Krompiec michal.kromp...@gmail.com wrote: Dear Noel, Yes, but the system path is OK: C:\Users\Michalecho %path%

Re: [Open Babel] problems with python libraries

2013-10-07 Thread Michal Krompiec
This is not a mistake. As I wrote in my first post, I was trying to install python and ob on 3 different computers, and these two error messages are from different computers: one running python 3.3 and the other running 2.7. But coming back to the point: adding openbabel's directory to windows