***PLEASE READ***** PLEASE PRINT ADDENDUM.WRI AND INSERT INTO MANUAL. MUCH OF THE INFORMATION ABOUT EDITING, IN THE MANUAL, HAS CHANGED! Last minute information for ChemPen+ version 1.07 Special Considerations for Microsoft Windows 95 Users ChemPen+ is a Windows 3.1 program but will install and run under Windows 95. However: 1. ChemPen does not implement Windows 95 specific features such as long filenames or multithreading. 2. ChemPen does not edit the Windows 95 registry. ChemPen CHP files must be associated with ChemPen by the user. 3. At the end of installation, under Windows 95 there is a delay that can last up to a minute on slower machines and which causes the computer to appear locked. Wait for the installation to complete as indicated by the Installation successful message box. -------------------------------------------------------------------- Changes from Version 1.00, 1.03, 1.05 1. The Atom Editor has charge buttons +1 and -1 that increase or the selected atom's charge by +1 or -1. 2. The atom editor has +H and -H buttons that increment or decrement the number of implicit hydrogens by one. This is useful for protonated structures or for proton NMR. 3. The main menu has been reduced to one level. However the number of functions has INCREASED. 4. Branch allows you to branch a bond, some non-metal atoms or popular functional groups from existing atoms. 5 Protonate and deprotonate let you branch explicit protons from all atoms with implicit hydrogens. Non metals such as O, S and N have implicit hydrogens depending on the number and types of bonds attached. 6. When a bond is deleted any directly attached aromatic bonds are highlighted in blue. This is only significant if you are using Chempen New keyboard shortcuts: ------------------------------------------------------------------ The following keys change the nearest atom to the mouse pointer to the corresponding atom: H hydrogen C carbon O oxygen S sulfur N nitrogen F fluorine X chlorine Y bromine I iodine Z selenium Q silicon B boron Delete - deletes the nearest atom The bond nearest to the mouse pointer can be edited by the following keys 1 - changes a bond to a single bond 2 - changes bond to a double bond 3 - changes bond to a triple bond 4 - changes bond to a resonence double bond 5 - changes bond to a dotted bond. K deletes a bond L links two atoms closest to mouse pointer. A Toggles bond between aromatic and non aromatic. This is only useful for the internal NMR and other property prediction routines. The Bond is highlighted in blue when toggled to aromatic. ------------------------------------------------------------------ Molecular weight on the "Special" menu item is now "Molecular Data" on the "Calculate Menu" and gives the Molecular weight, the molecular formula and the % compositions of each element. ------------------------------------------------------------------ C-13 NMR DEMO HOSE code Database: The Demo database no longer uses HOSE CODES. A faster quantitative proprietary property prediction algorithm has be implemented. This algorithm, which encodes the connectivity and electronic structure of the drawing is designed to deal with a wider variety of tasks besides NMR prediction. At present the algorithm is implemented for C-13, N-15 and F-19. A small demonstration C-13 NMR database is included. The old database will no longer work. ------------------------------------------------------------------- Bug fixes 1. Fixes problems with loss editor buttons under Windows 95 2. Fixes several memory leaks 3. Corrects functionality of ring tilting when fusing to nitrogens and oxygens in rings 4. Corrects 213 error that occurs if you try to clone a group in a drawing that contains symbols. 5. Corrects errors in the reflect and flip behavior of arc arrows --------------------------------------------------------------- Compuserve Members can Register ChemPen+ via the Shareware Registration Forum. GO SWREG and enter Registration ID: 11961 ------------------------------------------------------------------- Need help? Want to report a bug? Have suggestions or critiques? Please contact Hilton Evans at: HFEvans@ICI.net or 102303.2120@compuserve.com or 232 Canton Street #312 Randolph, MA 02368 -------------------------------------------------------------------- Chempen+ ©1994,1995,1996 Hilton Evans