CHIMICAD V 1.24 (EVALUATION) SHAREWARE PROGRAM REALISED BY PAOLO GATTI (E-Mail: gatti@iatfa.unige.it) English catalog file revised by GIOVANNI CALDERONE DEVELOPED IN BLITZ BASIC® 2.1 1 : INTRODUCTION Chimicad is a bidimensional CAD program (using bitmap graphic) which allows you to create and edit any kind of 2D molecular structure. This structures can be saved in IFF format or in an internal format, suitable for formulas archives creation. Program interface offer, besides classical drawing instruments, a set of brushes that represent various basic organic structures. Such brushes are the hearth of program and speed up drawing compared to another program not specific for chemical drawing. Brush use is very simple : click on desired brush icon gadget (by left mouse button LMB), brush appear under mouse pointer and you can move it around screen, fix it by another LMB click. Combining various instruments will be easy to make any desired structure. It's also possible to insert created structures in "Brushes Banks" that you can use to create libraries containing formulas most used in your works. Bitmap graphic choice can appear as a limitation (all chemical drawing programs are vectorial), but in normal usage ChimiCad work well (i used it to make my degree thesys) and is, at the moment, only program in this field for our Amiga. Consider also that i'm university researcher and that i have not much time for programming. 1.1 DISCLAIMER You are using this software at your OWN RISK! Under NO CIRCUMSTANCES will the author be liable for any direct or indirect damage or data loss resulting from the use or missuse of this software. 1.2 COPYRIGHT PROGRAM COPYRIGHT © STAYS AT THE AUTHOR : PAOLO GATTI Via Pietro Cristofoli 3/7 16151 GENOVA E-Mail : gatti@iatfa.unige.it 1.3 DISTRIBUTION ChimiCad (in evaluation version) and its associated files may be distributed freely as long as no unreasonable charge is imposed. It may not be included within any commercial package without express written permission from the author; the exceptions from this are the AmiNet CDs and Fred Fish's utility collections. ChimiCad and its associated utilities may only be distributed if all files contained within the original archive are present. Registered version is only for personal use of buyer, any distribution is forbidden. Is also forbidden any modification in graphical interface or default shapes contained in evaluation or registered version. 2 : SYSTEM REQUIREMENTS Now program run also on Amiga with 2.x Kickstart version (i have'nt tested on 1.2 or 1.3, i think that don't run because Locale library are required). Program require : Kickstart® and Workbench® 2.04 or later. Reqtools.library (© Magnus Holmgren & Nico Francois). (This library is present in distribution archive and automatically installed in your system.) Locale.library (Present in system software from KS 2.0) At least 1 Mb of total RAM. Program tested on: A1200/68020/2MB Chip/External IDE HD 540MB/Squirrel SCSI CD-ROM A1200/68030-50 MHz/2MB Chip/4MB Fast/Ext. IDE HD 540MB/Squirrel SCSI CD-ROM A500 (Ks 1.2+2.04/½ Mb çhip/½ Mb Fast, tested on KS 2.04) Amiga 4000/Ks3.1/Cyberstorm 68060/40 Mb Ram/Hd 5 Gb+Hd 2 Gb Printing routine tested on : HP DESKJET 550 C EPSON LQ-400 (24 dot matrix printer) using System Preferences or Turbo Print 4.1 (© by Irsee Software). Chimicad is INCOMPATIBLE with : MULTICX commodity MCP And probably with other commodities that manipulate mouse and windows events. In tests on amiga 4000 with Cybergraphics card chimicad could open his screen in the modes managed from the card, but it was seen a big deceleration of drawing operations. 3 : INSTALLATION This program can be installed using COMMODORE'S INSTALLER®, which presence is required in your commands path. Installer is not suppled with system software but is very easy to find it. I omit to insert it in distribution archive to reduce its size and so the downloading time (i apologize to those that don't use modem.). If you don't have Installer then read INSTALL_eng.DOC to make a manual install (it's however very easy and not so long). 4 : REGISTRATION This is an evaluation version and so, to encourage You to registrate, it have some function disabled or reduced : -PRINTING IS DISABLED -WHOLE PAGE SAVING IS DISABLED -BRUSH IFF SAVING IS POSSIBLE ONLY IF DIMENSIONS ARE LOWER THAN 70x70 PIXELS -BRUSHES BANK ONCE SAVED LOSE ALL CONTENTS WITH EXCEPTION OF FIRST TWO ELEMENTS With registration you'll receive a fully functional version and a lot of archive containing structural formulas for various classes of compounds (pharmaceuticals, biochemical etc.). Registered users have also opportunity to receive immediately informations about new ChimiCad versions The registration fee is : 18 U.S. DOLLARS or 25 GERMAN MARCS or 80 FRENCH FRANCS or 10 U.K. POUNDS or 25000 ITALIAN LIRE And is inclusive of shipment. You can pay fee by : -INTERNATIONAL POSTAL ORDER (if possible make this in Italian Lire) to my address : PAOLO GATTI Via Pietro Cristofoli 3/7 16151 GENOVA ITALY In this case join copy of order to your request letter. -CASH using any currency above indicated and inserting it in request letter (it's easiest but less sure way....). For fastest information you can contact me at this E-Mail address: gatti@iatfa.unige.it 5 : CHIMICAD USE Once installed program you can start it by double click on your icon, or by typing in a CLI window `CHICAD:chimicad'. The program at start opens a screen in the resolution decided from user through the PREFERENCES EDITOR (see menu 'commands'), default is HIRES LACED 640x512. Once closed presentation requester you enter in work page that contain two windows: -Drawing sheet window -Brushes & Instruments Window Brushes and instruments, selectable by a click of left mouse button (LMB) on your gadget icon, are used to operate on drawing sheet. In MENU BAR are accessible three BRUSHES MENU and one COMMANDS MENU: in first three you can insert yours brushes (picked from drawing sheet or loaded from disk); the last contain various utility commands. 5.1 BRUSHES & INSTRUMENTS WINDOW This window contains two series of gadgets that are selectable by LMB click; first row presents various instruments to draw structures, pick and save or load brushes, type letters etc. Second row contains 24 default brushes. Last three gadget of first row represents BRUSHES BANKS and are used with instruments that operate on them (see save brush on bank,delete bank etc.). You can hide this window to use all drawing sheet by clicking on its depth gadget; to unhide then click on depth gadget of drawing window. You can also move screen up or down other using its depth gadget. During whole page printing instruments window is automatically closed and reopened at the end of work. REMEMBER !! You can quit any instrument during your use simply by clicking right mouse button (RMB) or by pressing ESC key. Only during brush rotation (see there) you can't use RMB but only ESC key to abort operation. 5.1.1 DRAW LINE Choose point between trace line using LMB; once choosed first point you can drag the line just to second and then fix it by another LMB click. 5.1.2 DRAW POLYLINE You can draw multiple lines joined one to another. Procede like for line using LMB to choose various points (start and end of any segment), then if you want a polygon you can close it by pressing SPACE BAR (this join end of last line drawed to first point choosed). 5.1.3 FREE HAND You can draw freely by moving mouse holding down LMB; at LMB release you can move without draw. You can leave this instruments by pressing ESC key or clicking RMB. 5.1.4 DRAW CIRCLE To draw a circle choose its centre by moving mouse pointer and clicking LMB, then enlarge circle by dragging it. You can leave instrument by pressing ESC or RMB. 5.1.5 TYPE LETTERS By mouse and LMB choose start typing point in which appear text cursor (a small horizontal line); from there you can type your text using keyboard. Program use as default font TOPAZ in size 8; you can choose personal font using COMMANDS MENU item named CHANGE FONT. ARROW KEYS allows you to move on sheet by a step of one letter (8 pixels); using TAB key you change step to ONE PIXELS for fine positioning on sheet. You can erase letters typed (only after last arrow key use) using BACKSPACE (<-) key (DEL key is not active). After first point choice you can't use mouse to position text cursor but only arrow keys. You can fix letters and end typing by pressing RETURN key. ESC and RMB aren't active to quit program. Numbers tied (without any space) at right of a letter are automatically shifted to underscript to speed up writing of inorganic compounds formulas or long hydrocarbon chains etc. (FORMULA typing mode). example: Typing 3H2SO4 number 2 and 4 are underscript automatically. For write letters or numbers in SUPERSCRIPT or UNDERSCRIPT could be used the keys F1 and F2; with the key F3 you can return on the line of base. The key F4 allows to use a Special Font that could be definite from the preferences editor or selected through Choose Font (menu 'commands'). I have inserted as default the Symbol.font that contains the Greek letters. The key F5 activate or deactivate FORMULA typing mode (see above). 5.1.6 ROTATE You can use this instrument to rotate: -DEFAULT BRUSH : choose it by clicking on your gadget icon -USER BRUSH : choose it from brushes menu where it's -SHEET SECTION : choose it by use of `PICK BRUSH' instrument activated after rotate instrument. Once choosed object to rotate, it appear under mouse pointer and you can move it around sheet just to zone where make its rotation. By pressing LMB fix object in rotation site and then by others LMB click rotate it. If object is NOT a DEFAULT BRUSH then rotation angle is 90°; if it's then rotation sequence is : 30°-45°-60°-90°-120°-135°-150°-180°-210°-225°-240°-270°-285°-300°-330°-360°(0°). Obtained desired rotation you can use the brush by pressing RMB (because this it's impossible to quit rotation sequence using RMB, you can quit only by ESC key); at this point you can move the brush at will and you can fix it on drawing sheet by LMB click (now rotated brush is like any other brush choosed or created by user, then its use can be leaved using RMB or ESC key). 5.1.7 FLIP X For this instrument refer to ROTATE general use and use it to obtain a horizontal mirror image of the selected object. 5.1.8 FLIP Y Like FLIP X but you obtain a vertical mirror image of the object. 5.1.9 PRINT You can choose from a requester to print whole drawing sheet or only its section. If you choose "section print" then you have to select the rectangular sheet zone to print (this procedure is common for any rectangualar zone definition) : choose first point (generally left up corner) using LMB, drag extensible rectangle to enclose zone desired and then fix it by another LMB click. To obtain good results you need to set graphics prefs depending your printer resolution (300x300 DPI is very good) and driver. I have obtained best results with my Deskjet 550C used with TurboPrint Pro and TurboPrefs (both ©® by Irsee Software); also using system driver results have been good. With Epson LQ400 results are less, but ever acceptable. It's important that you set ever SMOTHING ON (or with turboprint at SUPER). If you don't obtain good results with internal printing routine then you can export your draws as IFF files and then print it for your preferred printing program. 5.1.10 CLEAR ZONE You can choose a rectangular drawing sheet zone (see print) to clear from your contents. CAUTION: This command don't ask you to confirm before delete zone. 5.1.11 CLEAR PAGE You can clear whole drawing sheet. Before to delete you are asked by a requester to confirm your choice. 5.1.12 LOAD IFF You can use this instruments to load an IFF image that can be used as a brush. Files are choosed from a requester that use program location as files path; you can also change the path using the CHANGE DIR item in COMMANDS MENU. CAUTION: only 2 colors (1 bitplane) IFF IMAGE can be loaded; a requester let you know if image have more than 1 bitplane. 5.1.13 SAVE IFF This instrument allows you to save contents of a rectangular drawing sheet zone in IFF format; this is useful for data exchange between programs. (For zone selection see PRINT) 5.1.14 DEFINE BRUSH By this you can transform contents of a rectangular drawing sheet zone in a brush that you can use as a default brush (you can move it by mouse and fix it by LMB clicks). If you use the DEL key instead of LMB click to end zone selection then you cut off the brush fisically from sheet and zone choosed will be cleared (the brush obtained is identical to others for your use). This instrument can also be choosed after ROTATE activation; in this case, choosed brush, you can rotate it before to move it on sheet (see ROTATE). 5.1.15 BRUSH TO BANK Operate like in previous instrument to define your brush, then choose by its icon gadget the bank in which to insert it. If all banks are complete (i.e. each contains 15 brushes) then a requester let you know that must free space in brushes banks. In this case you can erase all contents or one or some elements of a bank (see ERASE BANK or ERASE ITEM). Choosed bank a requester ask you to insert bank name (you can also keep present name) and brush name (if you insert a blank string then you abort operation. Both name can contain 20 letters at the most. 5.1.16 CLEAR BANK By this instruments you can erase all contents of selected brushes bank. Achieve bank selection as previous by clicking on its icon gadget. Before erasing a requester ask you to confirm action or give the possibility to save and then erase or to abort. 5.1.17 DELETE ITEM By this instrument you can erase a single element from a brushes bank. You can choose the element directly from brushes bank menu in which it is contained. Before erase it a requester show you brush image and ask you to confirm action. 5.1.18 LIST BRUSHES SET CONTENTS You can read names of brushes contained in a set saved on disk and choose to load this set in a bank. The files is choosed from a requester that use a default files path (CHIMICAD location) or a user files path (see CHANGE DIR PATH in COMMANDS MENU). In window that show contents a gadget offer posibility to load listed set of brushes; in this case you must indicate by click on its icon gadget bank in which load set. 5.1.19 LOAD BRUSHES SET IN A BANK At first select by its icon gadget the bank in which you want to load brushes set. Then choose the set from a files requester that use a default or a user defined files path (in requester are showed only .SHP files, see later for more details). If selected bank contains one or more brushes (and then it can' t receive brushes set) a requester tell you to choose another one. If all banks contain brushes then you must free one of them before you can load a brushes set from disk; in this case a requester infor you about this necessity. NOTE ABOUT FILES CREATED BY CHIMICAD In brushes set saving chimicad create two files with name that you give to set. This files are different for your SUFFIX : .SHP is for the file that contains image of brushes .FRN is for the files that contains name of brushes and set informations These suffix are joined automatically to files if you obmit them in file name definition (only during save operations). !!ATTENTION!! These files must be present in same directory so that brushes set can ce loaded succesfully. Suffix must be always present in the file name and must be joined to right file type name (not .shp for names file or .frn for image file). Don't modify brushes set bank name for your suffix part and DON'T assign names that contains .SHP o .FRN as suffix (last four letters) to files that aren't Chimicad brushes set. You can't load files that don't have .SHP suffix and if you try a requester inform you that choosed files probably is not a Chimicad brishes set. If you add a .SHP or . FRN suffix to wrong files and you try to use it as brushes set you obtain probably a SYSTEM CRASH or (if you are lucky) a program abort. 5.1.20 SAVE BRUSHES BANK By this you can create from a bank a brushes set on disk. At first choose brushes bank to save by its icon gadget; if bank is empty a requester notify it to you. After insert in a files requester the name that you want to give to brushes set; this files requester show only files with .SHP suffix. Files path is by default program location and it's possible to change it by using CHANGE DIR in COMMANDS MENU. As previous indicated file name must contains .SHP files and if you omit it then program add it automatically. 5.1.21 BRUSHES BANK ICON GADGETS They are used to choose bank on which operate by instruments as LOAD BRUSHES SET, SAVE BANK, ERASE BANK, DELETE ITEM or BRUSH TO BANK. Number that they contains indicates brushes contained at moment in the bank. 5.2 DRAWING SHEET It is the screen area utilizable for drawing; your dimensions are based on screen resolution choosed, and is partially covered by Instruments window. As before said you can view all drawing sheet by pressing depth gadget of instruments window. Instruments window reappear if you ppress depth gadget of drawing sheet window. 5.3 BRUSHES BANKS MENU It contains three brushes set composed by brushes picked from drawing sheet contents. A set can contains up to 15 brushes each of them is indicated by a name created with brush (see BRUSH TO BANK) and modifiable by a COMMANDS MENU option. Name must be long 20 letters at the most. You can act on brushes contained in banks by ROTATE or DELETE ITEM instruments (see). 5.4 COMMANDS MENU From them you can choose some utility commands : - INFO give you informations about program version, author and copyright -LOAD PAGE: it allows to load screens IFF on the DRAWING SHEET. Such screen could not have more than 2 colors. If the page choosed is bigger than used, then a requester will propose the choice between the abandonment of the operation and the conversion of the screen to the necessary resolution. Opting for the conversion you will be decide the new resolution and screen mode by a requester. -SAVE PAGE by them you can save whole drawing sheet as IFF file. -CHANGE BRUSH NAME allow you to change the name of a brush contained in a brushes menu. First choose this command, then choose the brush directely from the menu in where it is, then insert new name in a requester that appear and that show you also brush image. -PREFERNCES EDITOR: from this window the user can decide the settings (screen mode, fonts, paths of search) for the program; The choices will be active from the following start of the program, to condition that they come saved in the file chimicad.settings through the gadget SAVE in the window. You can also activate immediately changes by USE button. -CHANGE PATH allow you to choose by a path requester the directories used by files requesters as default for load/save commands. -CHOOSE FONT: from here is approached to a REQUESTER that allows the choice of the type of font to modify. Selected that you can choose with a comfortable requester the font to use, his dimensions and his style (boldfaced, italic, underlined). The others options in the requester don't act on the selected font. The requester show the list of fonts present in the device FONTS: . -CHOOSE SCREEN MODE: it allows to decide the resolution of the screen in which ChimiCad will work. They are approved all graphics modes ma- naged from your chipset (Except HAM, HB and Lores that don't are listed in requester). -MEMORY STATUS show chip, fast and total memory situation at the present. -EXIT by this you can leave out the program. Before to exit you are asked to your choice. 6: AKNOWLEDGEMENTS Big and lovely thanks to Monica, my patient girlfriends. "Thecnical" tanks to ACID SOFTWARE for your BLITZ BASIC® 2.1, the powerful language by which this software have been developed. Thanks to NEIL O' ROURKE for your NEILSREQTOOLSLIB and to NICO FRANCOIS and MAGNUS HOLMGREN for your REQTOOLS.LIBRARY. Great thanks to GIOVANNI CALDERONE for your precious beta testing work and for english catalog file. Thanks to PATRICK KURSAWE for your suggestions and criticisms. 7 : FUTURE DEVELOPMENT Use of UNDO function, DATABASE functions. In far future is possible use of vectorial graphics (i'm only an hobbist and i have too little time for programming). 8: HISTORY ChimiCad V 0.01 (6/1994) : AMOS version of this program. Born to draw quickly chemical structures for my graduation thesis (i'm a pharmaceutical chemist). Chimicad V0.50 (1/1995) : First BlitzBasic porting of program. Chimicad V0.90 (7/1996) : Complete change in interface and requesters. ChimiCad V1.00 (1/1997) : First shareware distributed version; compatibility problem on A500 and not 3.0 Ks computers. ChimiCad V1.05 (1/1997) : Version compatible with A500 and Ks 2.x ChimiCad V1.09 (2/1997) : Various bugs fixed. ChimiCad V1.10 (2/1997) : Screen format choice; Depth gadget use. ChimiCad V1.12 (3/1997) : Preferences Editor and others minors changes. Chimicad V1.14 (3/1997) : Typing routine recoded, some bugs fixed. Chimicad V1.16 (4/1997) : Not necessary any assign. Chimicad V1.18 (5/1997) : Registration via KeyFile ChimiCad V1.19 (6/1997) : Catalog file (not IFF) for language choice. Chimicad V1.20 (7/1997) : Now use standard Amiga catalog files. ChimiCad V1.21 (7/1997) : Changed Preferences Editor. Fixed bug in text deletion and shape grabbing prsent only in V 1.20. ChimiCad V1.22(7/1997) : Fixed fonts choice and saving configuration bugs in pre- ferences editor (bugs present only in V1.20). ChimiCad V1.24(8/1997) : Now Special font work correctly. Install script modified.