[Open Babel] OpenBabel to split multimol2 file but without changing bond types?

2012-10-04 Thread Juliette Pradon
Hello, I am using OpenBabel to split a multimol2 file into separate mol2 files (i.e. one mol2 file per compound). I use the following command: babel my_ligands.mol2 ligandPart.mol2 -m such that each single ligand mol2 file will be called ligandPart1.mol2, ligandPart2.mol2, etc The issue is th

Re: [Open Babel] OpenBabel to split multimol2 file but without changing bond types?

2012-10-04 Thread Maciek Wójcikowski
Have you tried "copy" output format? -ocopy Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2012/10/4 Juliette Pradon > Hello, > > I am using OpenBabel to split a multimol2 file into separate mol2 files > (i.e. one mol2 file per compound). I use the following comman

Re: [Open Babel] OpenBabel to split multimol2 file but without changing bond types?

2012-10-05 Thread Juliette Pradon
Babel to split multimol2 file but without changing bond types? Have you tried "copy" output format? -ocopy Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl<mailto:mac...@wojcikowski.pl> 2012/10/4 Juliette Pradon mailto:pra...@ccdc.cam.ac.uk>> Hell