Content of the folder:

1) Supplement 1: readme.txt (this file)
2) Supplement 2: text-reports.zip     - text files with calculation statistics (number of clusters, timing, etc) for databases of different size.
3) Supplement 3: probes.zip           - SD file with probe molecules for similarity level=0.6. The file can be used for clustering of external databases.
4) Supplement 4: singletons.zip       - SD file with singletons. They might form cluster space for external databases.
5) Supplement 5: ched-demo.zip        - program for clustering. See below installation.
6) Supplement 6: binary-data-full.zip - 1M database with clustering results

To install and run the clustering program, please follow these steps:

1) Supported Operation Systems: Windows 98, NT (SP>=4), 2000, 2003, XP, Vista
2) Unpack file binary-data-full.zip.zip with database to a directory, for example, c:\temp
3) Unpack ched-demo.zip and install Ched program by running setup.exe
4) If Operating System Windows Vista is used, please run ched.exe once with administrative rights (right mouse click and Run as administrator selection from dropped-down menu)
5) Run Ched.exe and open the database testDB (which was unpacked in step 2).
6) Execute following command from the CheD menu: Diversity/Clustering/Clustering