Re: [OpenBabel-Devel] Cannot convert to MOL2 standard PDB ligand file

2013-01-17 Thread Noel O'Boyle
Cannot initialize database is fixed by setting the environment variable BABEL_DATADIR to point to the Open Babel data files, typically installed in C:\Users\noel\AppData\Roaming\OpenBabel-2.3.2\data. Setting this correctly should sort out the problem. - Noel On 16 January 2013 22:31, Gaudreault,

[OpenBabel-Devel] Cannot convert to MOL2 standard PDB ligand file

2013-01-16 Thread Gaudreault, Francis
I am unable to convert adequately (using the OpenBabel::OBConversion method in my own-program) the following standard PDB ligand to the MOL2 format on my Win32 machine. REMARK THIS IS THE LIGAND FROM 1stp.pdb HETATM 903 C11 BTN A 300 9.051 4.576 -14.459 1.00 21.57 C