ParaSim v.0.05 released: New option to include addition output columns like Smiles etc.

• Included the option to report together with ParaSim results an additional (concatenated) data column (e.g. for Smiles output)
• Included the option for rdkit2parasim.py and Molecule2ParaSim.xml to generate an additional Smiles column for ParaSim reference files
• The file format does no longer expect a mandatory second column BITCOUNT. If not existing, bitcounts are calculated during file reading.
• Eliminated a major bug which slowed down ParaSim during startup
• Harmonized interfaces of rdkit2parasim.py with the other tools
• For rdkit2parasim.py and Molecule2ParaSim.xml, an ID parameter is no longer mandatory when reading from Smiles. If not set, a column 'Index' will be created.