[Open Babel] Problem adding hydrogens to HETATM

Hello, I have several PDB files containing protein-ligand complexes. The protein atoms are in the ATOM record and the ligand atoms in the HETATM record. However, when I add hydrogens with Open Babel 2.3.1 all the added hydrogens, including those belonging to the ligand, appear as ATOM. The res

Re: [Open Babel] Data directory missing from Open Babel 2.3.1 Installation?

Hello Richard, Please note first of all that openbabel-scripting is officially dead. I'm sending this openbabel-discuss instead. You were looking at the docs for 2.3.0. See the current ones: http://openbabel.org/docs/current/UseTheLibrary/PythonInstall.html The new location of the DATA folder

[Open Babel] Research on OSS management and business models

Dear Mister or Madam, My name is Sebastien Wynen and I'm doing some research on Open Source Software (OSS) within the framework of my dissertation project at the Nottingham Trent University (UK). The purpose of my research is to shed light on business and management practices in Open Source Sof