Re: [Open Babel] Python-openbabel code crashes definitely on program finish

2010-02-23 Thread Noel O'Boyle
The reason I asked for a simple test case is not to reproduce the problem, but to fix it quickly. I don't have the time right now to properly indent your code, figure out what it's doing, shorten it myself and identify the problem. - Noel On 22 February 2010 18:58, comcon1 wrote: > The code, I h

Re: [Open Babel] Python-openbabel code crashes definitely on program finish

2010-02-22 Thread comcon1
The code, I has written in the post in eough to reproduce a problem. Problem doesn't depends on what PDB files i use. For example, it was http://slil.ru/28690409 cholesterol . In my case it was 2 lipids, I can The problem is memory leak during destructing mols array. -- View this message in con

Re: [Open Babel] Python-openbabel code crashes definitely on program finish

2010-02-22 Thread Noel O'Boyle
Sorry - a typo: " To make it easier for us to identify the problem, could you provide the simplest possible program that causes the problem? Could you name a PDB file that causes the problem?" On 22 February 2010 18:39, Noel O'Boyle wrote: > Hello Alexey, > > To make it easier for us to identify

Re: [Open Babel] Python-openbabel code crashes definitely on program finish

2010-02-22 Thread Noel O'Boyle
Hello Alexey, To make it easier for us to identify the problem, could you provide the simplest possible program that causes the program? Could you name a PDB file that causes the problem? - Noel On 22 February 2010 17:32, Alexey Nesternko wrote: > This is the part of program, which also crashes

[Open Babel] Python-openbabel code crashes definitely on program finish

2010-02-22 Thread Alexey Nesternko
This is the part of program, which also crashes in the same way: #!/usr/bin/python -d import openbabel, sys, math, random import numpy try: def add(x, y): return x+y obC = openbabel.OBConversion() obC.SetInAndOutFormats("pdb", "pdb") mols = [] verts = []