ParaSim Files

## Version Info

**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

- Calculate input bitcounts if not present

- Optionally report progress if output is redirected to file

- Fix reading twice during Perl to C data transfer 

- 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