Re: [Open Babel] Invalid memory access during OBConversion.WriteFile()

2012-12-04 Thread Fredrik Wallner
Hi,

You should probably test the result from SetInAndOutFormats, just to be sure. 
If that step failed, you're in trouble. Do you get the error regardless of what 
format you're using for output?

Kind regards,
Fredrik

4 dec 2012 kl. 10:16 skrev mpillong max.pill...@pharma.ethz.ch:

 Hmmm, sorry about that, I was using the  raw  Tag here ... but here's the
 original text.
 
 Hey everyone,
 
 I am currently running OpenBabel on a MacOSX 10.6.8 in Eclipse with Java.
 Recently, I encountered the following exception during using the WriteFile()
 Method in OBConversion:
 
 'Invalid memory access of location 0xfffb25991558 rip=0x7fff888cb683'
 
 
 I have used the same method to write molecules before, the code looks like
 this:
 
 public static void writeOBMolecule(OBMol mol, String output, String format){
   OBConversion obc=new OBConversion();
   obc.SetInAndOutFormats(format, format);
   obc.WriteFile(mol, output);
 }
 
 
 I have tried multiple *.pdb files, the same error occurs every time
 (although the location does change every time). Any thoughts on this?
 
 Thanks in advance!
 
 Max 
 
 
 
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Re: [Open Babel] Invalid memory access during OBConversion.WriteFile()

2012-12-04 Thread mpillong
Hey Fredrik,

thanks for the input. The SetInAndOutFormat returns true, so I'm guessing
there's nothing worng here. I've experienced this error with several
inputfiles of varying format (pdb, sdf, mol2).

Best regards,

Max 



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Re: [Open Babel] Invalid memory access during OBConversion.WriteFile()

2012-12-04 Thread mpillong
Ah yes, my bad! Of course, I have also tried different output formats, but
the error remains the same!



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Re: [Open Babel] Invalid memory access during OBConversion.WriteFile()

2012-12-04 Thread Noel O'Boyle
Can you provide a complete program that exhibits the problem? Please
make it as small as possible.

On 4 December 2012 10:06, mpillong max.pill...@pharma.ethz.ch wrote:
 Ah yes, my bad! Of course, I have also tried different output formats, but
 the error remains the same!



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Re: [Open Babel] Invalid memory access during OBConversion.WriteFile()

2012-12-04 Thread mpillong
Sure thing! Is the code sufficient, or would you need a runnable jar?


package TestClasses;

import org.openbabel.OBConversion;
import org.openbabel.OBMol;

public class TestOBWriteFile {

public static void main(String[] args) {


System.load(/Applications/OpenBabel/openbabel-2.2.3/scripts/java/libopenbabel.jnilib);

OBMol mol=new OBMol();
OBConversion obc=new OBConversion();
boolean SetSuccessful=obc.SetInAndOutFormats(pdb, pdb);
if (SetSuccessful) {

obc.ReadFile(mol, /Users/max/propane.pdb);
obc.WriteFile(mol, /Users/max/propaneOut.pdb);

}   

}

}


Thank you so much for your help!

Best,

Max



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