ParaSim Files

## Version Info

**V 0.05:**

* 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.

**V 0.04:**

* This is an important bugfix release. The persistent memory segment size is no longer static but adapted to the used memory to avoid depletion of segment addresses
* rdkit2parasim.py, Molecule2ParaSim.xml and simsearch.pl now allow not only filenames as query input parameters put also valid Smiles strings.

**V 0.03:**

* Allow non-integer structure IDs
* Achitecture: Externalize shared procedures (i.e. parsers) into module
* Determine and control fingerprint length from fingerprint itself (no option `-l`)
* Check query vs. reference fingerprint types to avoid mismatches

**V 0.02:**

* Proof of concept 

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## Development Roadmap

* Run a *ParaSim* process for zero response times
* Add a separate tool for statistical analyses of datasets (e.g. full histogrammes)
* Accept hex format for fingerprints
* Optionally report progress if output is redirected to file
* Read fingerprints as blocks
* Avoid manual recompilation for different processor architectures
* Additional similarity indexes
* Try a Windows version using Win32::MMF for shared memory and OpenMP for multithreading
* Different input (FPS) and output formats