CS ChemFinder(R) version 4.0 For Microsoft Windows 3.1, Windows 95 and Windows NT (c) 1997, CambridgeSoft Corporation October 1, 1997 This README file describes additions, changes, and known bugs not mentioned in the documentation. It is divided into the following sections: NEW FEATURES INSTALLATION NOTES SAMPLES PROVIDED TIPS AND KNOWN BUGS TECHNICAL SUPPORT NEW FEATURES ----------------------------- * Reactions! * Complete storage, retrieval, and searching of chemical reactions * Automatic atom-atom mapping and reaction center perception * Automatic layout of reaction diagrams to fit display boxes * Single or multi-step reactions * Database can contain mix of reactions and molecules * Search queries can be restricted to hitting a reaction center only (the default), or can hit anywhere in the compounds * Import and export of RD files * Completely new Table View, including resizable and repositionable columns, resizable rows, and display of pictures and molecular structures directly within the table. * Tanimoto similarity searching, with user-adjustable similarity cutoff percentage. * Support for Rich Text (bold, italic, etc) memo fields * Support for Date fields * Support for atom Not-lists * Support for registration of Aromatic bond types in databases * Improved OLE Automation interface, with extensive online documentation * Better handling of read-only databases * Automatic database update to the newest version. A "downgrade" is also available in case of emergency. * Enhanced interface for adding structures to existing non-ChemFinder databases * Improved tabbed preferences dialog * Various enhancements to the CAL scripting language, plus extensive online documentation * Complete reorganization and rewrite of the manual. INSTALLATION NOTES ------------------ The most common problem with installing ChemFinder is related to improper installation of DAO drivers. For more information see: http://www.camsoft.com/support/chemfinder.html SAMPLES ------- The SAMPLES directory installed with the program contains several small databases, forms, and sample scripts. Notes: The CS_DEMO database contains about 300 structures covering a range of structural types. The database contains two tables, both of which are visible using the form CS_DEMO.CFW. This is the form used in the tutorials in the ChemFinder User's Guide. DEMO.CFW is a simpler form which displays only the main table of the same database. We recommend you make a working copy of the database before experimenting with it, because if you make changes to the data or structures in that database, the examples in the tutorials may no longer give the documented results. The following procedure creates a working copy of the database, using the simpler of the two forms. To make a copy of the database: 1. Open the DOS Command Prompt window and enter commands similar to the following. (Modify these commands to match the location of your own installation.) c: cd \chemoffice\chemfndr\samples copy cs_demo.* mydb.* 2. Start ChemFinder. Open the form DEMO.CFW. 3. Choose Database from the File menu. In the database dialog, click Open Database. Select the database MYDB.MDB in the SAMPLES directory. 4. Choose Save As from the File menu. Save the form with the name MYDB.CFW, overwriting the existing file you created in step 1. You can now experiment with adding, modifying and deleting data in MYDB with no effect on the CS_DEMO script or database. Other files of interest in the SAMPLES dir: SAMPLE.SDF: sample MDL-format Structure/Data File. Use this to experiment with ChemFinder's Import SDFile feature. EXCEL.CFS, RUNEXCEL.CFS: simple CAL scripts demonstrating transfer of data between ChemFinder and Microsoft Excel. These files must be edited with a text editor before they will be useful in your environment. VB_EXCEL.XLS: sample Visual Basic script for use within Microsoft Excel, showing how to access ChemFinder data via OLE automation. See "Importing and Exporting Data" in Chapter 5 of the User's Guide for details about communicating with Excel or other external programs. There are also files of interest in the ChemFinder SYSTEM directory. Any .CFS file in this directory can be executed from the Scripts menu. You may wish to use a text editor to look at DEMO.CFS or BROWSE.CFS for examples of CAL programming. For more sample data and scripts, check our Web site at http://www.camsoft.com. TIPS AND BUGS ------------- Windows 3.1 limits: if you attempt to open too many forms simultaneously under Windows 3.1, you may get the error message "An unsupported operation was attempted." Close some windows. Also, under some circumstances, a bug occurs when closing a database. This bug may manifest itself later as the appearance of superscripts on the heteroatoms of a query structure, followed by a system lockup. We are working on this problem; for the time being, avoid closing form windows until you are ready to exit the program. Multiple users: ChemFinder databases may be used by several users simultaneously. However, ChemFinder forms (.CFW files) may not. If you attempt to open a form and get the message "Unable to open document," you can (a) create a new form, (b) open a different form, or (c) use File Manager or Explorer to make a copy of the form you are trying to open; then use Database from the File menu to connect the form to the target database. Metafiles: some older Windows metafiles may be opened and displayed, but not copied or pasted from the Clipboard. More recent ("enhanced") metafiles work better. Stopping searches: It is possible to abort a structure, formula, or molecular weight search by pressing ESC. It is not possible to interrupt searches over other fields, since these searches are carried out by the Access (or other ODBC) database engine. Valence checking: the Preferences dialog has an undocumented check box called Check Atom Valence. When this box is checked, every molecule being stored into a database is analyzed for violations of atomic valence, as specified in the ChemFinder Periodic Table. You are warned about violations, but can allow them to pass if you choose. Microsoft Excel: To access Excel data from within ChemFinder, you must first define a named range of cells in Excel. In Excel'95 and '97, you would select the range of cells and click on the Insert->Name->Define menu item, and give the range a name. The name you give it is the name of the table. You can have multiple ranges per sheet. The sheets are not visible as tables. The data is read-only. TECHNICAL SUPPORT ----------------- To report bugs or ask questions, please use one of the following addresses. E-mail is preferred. E-mail: Internet: support@camsoft.com WWW: http://www.camsoft.com CompuServe: 76070,615 America Online: CamSoft Post: Technical Support Staff CambridgeSoft Corporation 875 Massachusetts Ave. Cambridge, MA 02139 Fax: 1 617 491-7203