Notices for Members

Software Changes

Find-a-Drug 1.25g 12-Nov-04
This version is now released and existing members should be upgraded to it automatically when they next download jobs. The upgrade takes about 2 minutes - please be patient. Members may also download the new version and install it in the same folder (in this case you must first exit all the software). Highlights of some of the changes are listed below and more detailed information can be found here.
  v125g.upd and v125g.end (new) which are used as a version marker files.
  think.new (Windows) and think.nu (Linux) is the new version of think which includes some revisions to the CPU rating calculation which should reduce rating fluctuations.
  fadsetup.exe (Windows) and fadsetup (Linux). Minor bug fix.
  server.new (Windows) and server.nu (Linux) is the new version of server with a number of small changes.
 
Find-a-Drug 1.25c 7-Oct-04
This version is now released and existing members should be upgraded to it automatically when they next download jobs. The upgrade takes about 2 minutes - please be patient. Members may also download the new version and install it in the same folder (in this case you must first exit all the software). Highlights of some of the changes are listed below and more detailed information can be found here.
  v125c.upd and v125c.end (new) which are used as a version marker files.
  think.new (Windows) and think.nu (Linux) is the new version of think which includes some enhancements to the algorithms plus further revisions to the CPU rating calculation which should reduce rating fluctuations.
  fadsetup.exe (Windows) and fadsetup (Linux). Support for a new project has been added.
  server.new (Windows) and server.nu (Linux) is the new version of server with a number of small changes.
 
Find-a-Drug 1.24g 18-Aug-04
This version is now released and existing members should be upgraded to it automatically when they next download jobs. The upgrade takes about 2 minutes - please be patient. Members may also download the new version and install it in the same folder (in this case you must first exit all the software). Highlights of some of the changes are listed below and more detailed information can be found here.
  v124g.upd and v124g.end (new) which are used as a version marker files.
  think.new (Windows) and think.nu (Linux) is the new version of think which includes some enhancements to the algorithms plus a revision to the CPU rating calculation which should reduce rating fluctuations.
  fadsetup.exe (Windows) and fadsetup (Linux). A number of small changes have been made including easier reconfiguration to on-line use from off-line use (which was intended for PCs without Internet connections).
  server.new (Windows) and server.nu (Linux) is the new version of server with a number of small changes.
  loader.exe (Windows) and loader.nu (Linux) is the new version of loader.
  cgi.lis has been updated.
  http.lis has been updated.
  errors.msg is the new message file replacing errors.txt. The file is binary.
 
Find-a-Drug 1.23c 11-Mar-04
This version is now released and existing members should be upgraded to it automatically when they next download jobs. The upgrade takes about 30 minutes - please be patient. Members may also download the new version and install it in the same folder (in this case you must first exit all the software). Highlights of some of the changes are listed below and more detailed information can be found here.
  v123c.upd and v123c.end (new) which are used as a version marker files.
  think.new (Windows) and think.nu (Linux) is the new version of think which improves the algorithms to allow us to tackle more protein binding sites. The software also performs 10-20% faster and provides improved graphics with a depth-cueing effect.
  fadsetup.exe (Windows) and fadsetup (Linux) replace isetup (and tray under Windows). Members can now opt out of the Methodology project. Other changes include a command line mode under Windows and a new Planned Connection setting of "None" for members who wish to manually download jobs and upload results. fadsetup should now be used to configure remote clients.
  server.new (Windows) and server.nu (Linux) is the new version of server with a number of improvements to reduce redundancy: results are now uploaded when jobs are completed and unstarted queued jobs are purged if they have already been returned by other members. When jobs are downloaded manually the number of jobs and query (Windows only) can be specified.
  loader.exe (Windows) and loader.nu (Linux) is the new version of loader.
  cgi.lis has been updated.
  http.lis has been updated.
  screen.new is renamed to screen.srt and replaces screen.ini.
  errors.msg is the new message file replacing errors.txt. The file is binary.
  server.hlp has been updated.
  fadsetup.hlp is the help file for fadsetup.
  complete.txt has been updated.
  licence.txt has been updated.
  isetup.exe (Windows only) is replaced and starts fadsetup.
  tray.new (Windows only) replaces tray.exe and starts fadsetup.
 
Find-a-Drug 1.21l 10-Jun-03
This version has some small bug fixes and minor improvements for think.exe as well as support for two new data servers. The Linux version now has proxy support.

Members participating in the Windows and Linux beta test will be automatically upgraded first. Members requiring the special static linked version for Linux must download this manually.
  v121l.upd and v121l.end (new) which are used as a version marker files.
  think.new which replaces think.exe and runs at lower priority and has some bug fixes for long job time format, restart and error accessing pcname.nnn. (think.nu under Linux.)
  http.lis containing a revised list of http servers.
  cgi.lis containing a revised list of cgi servers.
  isetup.hlp (Linux only) revised help text.
  server.hlp (Linux only) revised help text.
  server.nu (Linux only) revised server with proxy support.
  isetup (Linux only) revised with proxy support.
  loader (Linux only) revised with minor bug fix.
 
Find-a-Drug 1.21k 06-May-03
This versions adds support for selective participation in the Multiple Sclerosis and SARS projects.

Members participating in the Windows and Linux beta test will be automatically upgraded first.
  v121k.upd and v121k.end (new) which are used as a version marker files.
  isetup.exe provides support for the new projects. (isetup under Linux.)
  think.new which replaces think.exe and supports longer node names. (think.nu under Linux.)
  server.new which replaces server.exe and supports longer node names. (server.nu under Linux.)
  loader.exe which supports longer node names. (loader under Linux.)
  tray.new which replaces tray.exe and starts in snooze mode so that networked clients restart after an upgrade. (Not included under Linux.)
 
Find-a-Drug 1.21j 16-Apr-03
This revision consolidates the beta versions 1.21a to 1.21j. (1.21j has some minor bug fixes) The changes are mostly periferal to the computational algorithms and provide improved GUIs, LAN support and communication capabilties. We have also introduced a points system for measuring member's contributions but we expect this may need some refinement.

The Linux version of this release became available on 29-Apr-03.
  v121j.upd and v121j.end (new) which are used as a version marker files.
  http.lis containing a revised list of http servers.
  cgi.lis containing a revised list of cgi servers.
  errors.txt is an extended error message file for think.exe.
  server.new which replaces server.exe and provides a revised mechanism for allocating CPU IDs and lock management. New functionality allows jobs to be moved between nodes in a network installation. This required search.nnn files to be replaced by j*.dat files which store the progress of each job instead of each node. This revision also describes THINK clients which have not provided a progress update for 5 minutes as stalled. The status line now includes a text description and when resized the blank spaces are removed from some columns. In addition, the columns can now be sorted by clicking on the titles and a stalled jobs are coloured yellow. Bug fixes are included for duplicate jobs and an obscure problem with Reset.
  tray.exe has been revised to include sleep and snooze options. It should also now be run on remote nodes in a LAN configuration to restart THINK after an upgrade. In addition, the ability to control the visibility of the Job Information window has been added. For members outside the beta test community, the new version of tray will not be started until the PC is rebooted. Alternatively, you can exit tray and then run loader.exe (double click it or think.lgo in the Windows File Explorer).
  think.new which replaces think.exe uses a revised mechanism for allocating CPU IDs and the logfiles are now named nodename.tlg. Where nodename is the name of the PC running THINK. In addition, progress reports to the Job Queue Server window are provided every minute. This revision includes a points calculation as well as generating some additional information quantifying the gaps left between the molecule or hit and the receptor site. It also calculates the CPU and elapse times reliably!
  loader.exe no longer uses the content of think.lgo to decide how many copies of THINK to run but uses the settings from the Control Panel directly. loader.exe also performs a maintenance upgrade to server.dat for the revised CPU IDs and renames search.nnn to j*.dat progress files during the upgrade. It is important not to intervene during the upgrade and manually rename *.new to *.exe as this would skip the progress file rename and may cause problems later. The upgrade also creates node.txt if it does not exist. This file contains the node name on which the Job Queue Server runs. think.exe and server.exe are no longer started when the PC is under battery power.
  isetup.exe is the new Find-a-Drug control panel which uses property sheets or tabs to divide the items into 4 panels. This includes a new Options panel which should eliminate the need to edit think.env to change configuration options as well as support some new capabilities. Members may now choose "When on-line" as the Planned Connection setting which prevents the Job Queue Server from initiating a dial-up internet connection. Some minor bug fixes include starting the correct number of THINK instances and improvements to uninstall. The time is no longer included in the status bar because it was often in error.
 
Find-a-Drug 1.20j 6-Dec-02
Maintenance revision. This is initially only available to members participating in the beta project.
  v120j.upd and v120j.end (new) which are used as a version marker files.
  server.new which replaces server.exe, which has improvements for "Connect after Confirmation" mode and job allocation algorithm. In addition, a potential deadlock between clients and the server has been addressed. A further change ensures that when the server window is visible the priority is restored to normal to ensure reasonable response.
  think.new which replaces think.exe, which has minor changes including to check point file writing and handling of certain file missing errors. In addition, a change to avoid a potential deadlock with the server has been made.
  loader.exe has a revision for stopping networked copies of THINK during an upgrade (it does not restart them).
  cgi.lis has been revised to include www.treweren.com in place of cgi.treweren.e2binternet.com. This will require some members to change their firewall settings.
 
Find-a-Drug 1.20i 12-Nov-02
Maintenance revision. This is initially only available to members participating in the beta project.
  v120i.upd and v120i.end (new) which are used as a version marker files.
  http.lis has been revised to include www.treweren.com in place of www.treweren.co.uk. This will require some members to change their firewall settings.
  server.new which replaces server.exe, uses a cache subfolder for m*.smi and provides slightly more robust error checking and recovery mechanisms. In addition, any damaged m*.smi are removed.
 
Find-a-Drug 1.20h 10-Oct-02
Maintenance revision
  v120h.upd and v120h.end (new) which are used as a version marker files.
  isetup.exe nolonger takes new members to the Control Panel unless they push the Advanced button.
  loader.exe is now minimised by default and the Quit button has been relabelled.
  think.new which replaces think.exe. This includes some new options for use with new protein targets over the coming weeks as well as some additional time out checks to ensure that think does not spend excessive amounts of time on certain algorithms. In addition, when used as a screen-saver, the THINK_PROCESSES setting is ignored. Some additional information is written to pcname.nnn for improved integration with third party software.
  errors.txt is an extended error message file for think.exe.
 
Find-a-Drug 1.20g 30-Sep-02
Maintenance revision
  v120g.upd and v120g.end (new) which are used as a version marker files.
  isetup.exe which has more robust error checking which avoids corrupting the isetup.dat file if the Retry button is pushed.
  server.new which replaces server.exe. It has slightly improved error checking.
 
Find-a-Drug 1.20f 26-Sep-02
Use HTTP for uploads as well as downloads and various ease-of-use changes. This should eliminate the need for FTP proxy configurations.
  v120f.upd and v120f.end (new) which are used as a version marker files.
  server.new which replaces server.exe. This uses HTTP to upload results. In addition, it has separate Send and Receive commands and several largely cosmetic changes.
  think.new which replaces think.exe. This includes a number of small changes including starting server.exe if it is not running and new jobs are required. In addition, the Exit confirmation dialog has been improved and the ESCAPE key now closes the window. Multiple copies of THINK are now disabled on the same PC unless THINK_PROCESSES is set in think.env to a number greater than 1. Errors during startup are now displayed in a small message window instead of the full screen emergency output window. Bug fixes include correcting the behaviour with THINK_MINIMISE=OFF.
  isetup.exe has been upgraded to use HTTP inconjunction with a CGI server to allocate new member numbers. In addition, the initial setup now uses a cascade of dialogs to enter the essential information.
  cgi.lis contains the list of CGI servers for uploading data from which one is randomly selected.
  http.lis contains the list of HTTP servers for downloading data from which one is randomly selected.
  errors.txt is the (encrypted) error message file for think.exe
 
Find-a-Drug 1.20e 04-Sep-02
Maintenance revision.
  v120e.upd and v120e.end (new) which are used as a version marker files.
  loader.exe includes some minor fixes .
  server.new which replaces server.exe. This improves the robustness of the HTTP connections for downloading new jobs.
 
THINK 1.20d 09-Aug-02
Emergency bug fix.
  v120d.upd and v120d.end (new) which are used as a version marker files.
  loader.exe includes a fix which may stop it occasionally hanging.
  think.new which replaces think.exe. The normal Help About and Help Usage behaviour has been restored.
  server.new which replaces server.exe. This includes a fix to upload the summary statistics to the correct place on the server. This bug was responsible for completed jobs not being reported in the statistics.
 
THINK 1.20c 07-Aug-02
Use of HTTP for data downloads and minor fixes/enhancements.
  v120c.upd and v120c.end (new) which are used as a version marker files.
  http.lis (new) which has the list of HTTP download URLs.
  loader.exe has only minor revisions including coping with double quoted arguments.
  think.new which replaces think.exe. The behaviour of the minimise control has been changed. There are also some minor bug fixes which will reduce the number of rejected jobs.
  server.new which replaces server.exe. The minimise control has been changed and cyan is used in place of blue in the dialog. For downloads HTTP is now used instead of ftp and progress reports are issued. This should reduce the server load and give faster downloads. We hope in 1.20f to eliminate the need for ftp for uploads.
  isetup.exe has been modified to use a revised FTP library and a minor bug fix.
 
THINK 1.20b 26-Jul-02
Minor enhancements and bug fixes
  v120b.upd and v120b.end (new) which are used as a version marker files.
  loader.exe has only minor revisions.
  think.new which replaces think.exe which has additional visibility controls on the view menu. In addition, the minimise button now makes the window invisible and a confirmation dialog appears during exit. There are also some minor bug fixes including disabling OpenGL if it causes an immediate crash or if there are not more than 256 colours available. When using the screen saver the display style will randomly change.
  server.new which replaces server.exe which has visibility controls on the view menu. In addition, the minimise button now makes the window invisible and a confirmation dialog appears during exit. Other minor enhancements include an autohangup after a dial-up connection was initialised and display of the PC name for jobs which are executing. There are also some minor bug fixes.
  For new downloads only a revised tray.exe which can start think and server by double clicking on the system tray icon.
  isetup.exe has been simplified with the removal of redundant steps and items on the dialog. In addition, if it initialises a dialup connection it will hangup on completion and autostartup works properly for non-english language versions of windows.
 
THINK 1.20a 18-Jul-02
OpenGL enhanced graphics
  v120a.upd and v120a.end (new) which are used as a version marker files.
  loader.exe has minor revisions including improved termination of THINK and SERVER when upgrading.
  think.new which replaces think.exe which uses OpenGL by default. This requires more than 256 colours and OpenGL32.dll to be present. There is also a menu bar with a help menu for general help text and a view menu for displaying more information about the current job and changing the display style. A pop-up menu may also be used to change the display style.
  server.new which replaces server.exe which includes an import and export capability (see help text) as well as fixing some obscure bugs.
  Licence.key is the licence key file for the gold version.
  errors.txt is an updated binary error message file for THINK which will now issue a message and automatically close the white emergency output window for instance when there is no write access to the think folder.
 
THINK 1.14j 25-Jun-02
Maintenance revision.
  v114j.upd and v114j.end (new) which are used as a version marker files.
  loader.exe has minor revisions including not starting the tray icon multiple times
  think.new which replaces think.exe which may reduce the number of operating system exceptions (blue screens) as well as record floating point exceptions in think.log. The computational thread now runs at idle priority.
  server.new which replaces server.exe and resolves a number of minor problems. There are also some enhancements including using the protein name as part of the job file name (except when not using FAT32 disk partitions). In addition, it supports an improved job scheduling capability and its main thread is now reduced to idle priority.
 
THINK 1.14i 20-Jun-02
Maintenance revision.
  v114i.upd and v114i.end (new) which are used as a version marker files.
  tray.exe which runs in the system tray and provides progress updates by means of a tool tip and visibility controls for THINK and SERVER. In addition, the setup panel can be accessed.
  isetup.exe has an enhanced setup panel including visibility and stop controls for the SERVER and an option to stop THINK. Members may now opt out of the beta test and only run other projects.
  loader.exe has minor revisions including enabling the server error window to be visible in all circumstances
  think.new which replaces think.exe and has revisions to communicate with tray.exe. Other minor code changes including use of RGB colour mode, removal of duplicate information to think.log and improved behaviour when setup is incomplete or certain errors occur. These include closing the "Output Console Window".
  server.new which replaces server.exe and resolves some obscure crashes in the routine SADJOB and corrects the behaviour when "Planned Connections" is set to "Every n Days". This has the consequence that connections will occur more frequently as unplanned connections if there are no local molecule files to process. The "Auto Add" button is now processed as a "Planned Connection" and will download jobs rather than use local molecule files. If the number of jobs processed within the Planned Connection interval is larger than anticipated, this revision will automatically increase the number of jobs downloaded in the future.

This version also creates a jobs.htm file which has a summary of uploaded jobs suitable for reading into excel and creating charts etc. In addition, there are revisions to communicate with tray.exe, minor bug fixes and improvements when certain errors are encountered and a horizontal scroll bar on the job queue window.

 
THINK 1.14h 06-Jun-02
Revision to fix server crash
 
THINK 1.14g 05-Jun-02
Beta version
  v114g.upd and v114g.end (new) which are used as a version marker files.
  isetup.exe which is an enhanced setup and configuration program including a HELP button and more internet connection modes.
  server.new is a replacement server program which supports the additional connection modes and the ability to re-use existing molecule files when internet connection is undesired or unavailable. This revision also deletes j*.log and r*.smi working files.
  loader.exe replacement ensures that server dialogs are visible. In addition, it avoids starting multiple copies of THINK and SERVER when switching users under Windows XP.
 
THINK 1.14f 21-May-02
Revised host.dat and isetup.exe to support an additional server.
 
THINK 1.14e 20-May-02
This update should fix some automatic download of software revisions, the spurious crashes as well as fixing some other problems. It consists of three new files and five replacement files.
  v114e.upd (new) which is used as a version marker file.
  isetup.exe now uses ALLUSERSPROFILE or USERPROFILE environment variables (if defined) which should (finally) resolve Server does not start automatically after Windows XP upgrade. This version also automatically retries alternative servers.
  loader.exe now performs more checks and displays messages before replacing think.exe and server.exe with new versions. These messages are also copied to a logfile (loader.log). Problems associated with multiple copies of loader running and failing to replace think.scr in the windows directory have also been resolved. At least for this revision, loader deletes working files including j*.log, r*.smi, think.log, server.log and server.dat (m*.smi are retained for re-use in the future). In the event that think hangs, this version of loader will attempt to stop the process hopefully eliminating the need to intervene or stop the process using the process manager.
  server.exe includes some fixes for problems which could corrupt the local queue leading to job failures. In addition, when used with the /v option, the server will now retry connecting to the find-a-drug server without waiting for an acknowledgement.
  think.exe includes a workaround for a compiler problem which was believed to cause spurious crashes. The graphics has been amended to omit the R and S chirality flags on atoms and the Output Window (which is used for debugging) should nolonger appear and if it does it will now automatically close when the program exits. During a software revision the THINK just hangs problem has been resolved and for upgrades to the existing version, the loader will stop THINK.
  think.bmp is used for the Mortar Board icon which is displayed in the graphics window when THINK does not have a molecule to display (eg when generating derivatives). THINK should no longer display more than one Mortar Board.
  errors.htm is a revised help file for the setup program.
  errors.txt is a revised help file for THINK (in v1.14d this was removed but the text rather than just the number can be helpful).
 
THINK 1.14d 08-May-02
This update should test the automatic download of software revisions as well as fixing some problems. It consists of one new file, three replacement files and two removed files from new downloads.
  v114d.upd (new) which is used as a version marker file.
  isetup.exe now has a true background mode as well as running in a minimised window. A toggle has been added for alpha projects (which currently cannot be disabled). This version also places the think.lgo file in the correct folder under Windows 2000 allowing the server to start automatically.
  think.exe should resolve some strange behaviour including THINK just hangs and crash under Windows XP. In this version it is no longer necessary to include the /s in the startup command.
  server.exe resolves deleting working files and job downloads fail after deleting jobs as well as preventing some jobs aborting with network PCs.
  think.hlp is no longer downloaded (it was a help file for THINK in command mode).
  think.ini is no longer downloaded (it was not used in this project).
 
THINK 1.14c 27-Apr-02
Emergency patch to isetup.exe to create node.dat file during upgrades.
 
THINK 1.14b 24-Apr-02
This update cannot be automatically downloaded due to an error. You need not delete your exist version: just overwrite any existing files with the new ones. This will retain your existing registration. It consists of seven new or revised files
  node.dat (new) which is used to prevent the server being run before a successful registration. It is also intended to inhibit copying the files to another PC and running multiple PCs with the same registration number. Doing so confuses the alpha statistics and results in automatic software downloads being lost. Use of the new multiple copies of THINK configuration is recommended instead.
  v114b.upd (new) which is used as a version marker file.
  host.dat which has been revised for an updated list of servers.
  loader.exe which will automatically place salflibc.dll into the Windows directory (if missing) and consequently enable the screen saver to start. In addition, this new version allows future SERVER and THINK executables to be updated automatically.
  isetup.exe is a revised setup program which has improved password checking (permitting either 1 or l as well as 0 or O to be entered, which to date has been the most common support query). Other changes include enabling the Uninstall button and replacing the Abort button with a Disable button to suspend automatic startup of the server and THINK until re-enabled. Following feedback, the Run in Background toggle is now enabled by default for new installations. If the program does not have access to the All Users startup folder, a copy of think.lgo is placed in the user's startup folder. This ensures that the server will automatically start on login.
  errors.htm is the revised help text for isetup.
  server.exe has some improved error messages, cannot be run multiple times and stops after downloading a replacement. In addition, you may start this program with /v switch (eg \think\server /v) to review the list of jobs processed, running and queued. The input, output and job files are automatically deleted when the results have been successfully uploaded but you may also delete the completed jobs themselves (with the status 02). This version will also use less swap file space and at low priority.
  think.exe supports multiple copies on the same PC and on a local network. In addition, it will stop after completing the current molecule in response to an abort request from the setup program or when a replacement version being automatically downloaded. THINK can be stopped immediately by closing the window in background mode. When running THINK as a screen saver it is now safe to use the Preview and Settings buttons in the Display Tool (they have no effect). This version will also run the computational thread at low priority.
 
THINK 1.14a 18-Apr-02
This was the initial alpha version.
 

Known Problems

Linux isetup permissions incorrect after upgrade (resolved)
When isetup was replaced during an upgrade execute permission was not set automatically.
Proxy support under Linux (resolved)
The use of a proxy server is supported in the 1.21l (beta) version for Linux. This uses environment variables to store the proxy definitions:

THINK_PROXY_HOST for the host name or IP address of the proxy server
THINK_PROXY_PORT for the port number if not 8080
THINK_PROXY_USER is optional for the username on that host
THINK_PROXY_PASSWORD is optional for the password on that host


THINK appears to run at normal priority (resolved)
In releases prior to 1.21l, the process class priority was NORMAL and the computation thread priority was IDLE. Some reporting tools do not report priorities for all the threads. With 1.21l the process class priority is IDLE and the thread priority is NORMAL. This gives a lower priority than previously and has the consequence that the performance of intensive applications will no longer be degraded by THINK. Any other distributed computing applications running on your PC may now take a larger share of the CPU time.

The old priority can be restored by inserting the following line into think.env using a text editor such as notepad
THINK_PRIORITY=NORMAL:IDLE


Very long jobs report the job time with too little precision (resolved)
This arose due to a formatting oversight for times in excess of 1 million seconds (about 12 days).
THINK stops and restarts after running for about 12 days (resolved)
A floating exception message is written to the logfile. The error appears to be in the benchmark routine and is now resolved.
THINK occasionally gives an error writing the pcname.nnn (resolved)
This probably arises only when using KDfold or other software accessing this file. THINK now ignores the error and continues.
Node names longer than 16 characters (resolved)
PCs with node names longer than 16 characters were not allocated jobs by the server.
tray sleeps (resolved)
The tray icon should be in snooze state on startup so that it will start think on a networked client if not already running.
Changing visibility of multiple local clients (resolved)
The tray icon only changed the visibility of the first client when running multiple copies on the same PC.
Reset button in Job Queue Server (resolved)
Under some circumstances, most prevalent when running multiple copies of THINK, a job would give an error immediately when restarted after a Reset.
Calculating CPU and elapse time (resolved)
The CPU time reported on under Windows XP, NT and 2000 and the elapse time reported by Windows 95, 98 and ME was sometimes in error.
Restarting network clients (resolved)
During a software upgrade the network clients stopped but failed to restart when the new version of think.exe was installed. It is now recommended that the tray icon is run on the network clients and this will start and restart THINK (except when disabled in the Find-a-Drug control panel).
Changing network graphics visibility (resolved)
There was no documented and supported means making the THINK graphics window visible once it had been hidden. The tray icon may now be used on the networked PCs to change the visibility.
Duplicate jobs (resolved)
In some circumstances, jobs could be downloaded which included processing the same molecule file more than once.
New jobs not successfully downloading (resolved)
A problem arose because some files had been inadvertently removed from one of the servers. Unfortunately, server.exe could not cope with this discrepency and failed repeatedly to add new jobs.
Stats pages not updating (resolved Monday 26-Aug-02)
We have a problem with our home office stats server which generates the web pages which are uploaded to the web servers. The pages were last successfully updated at 12:30pm on 24-Aug-02. The initial diagnosis is that the problem has not been cleared by rebooting and it may be Tuesday 27-Aug-02 before the problem is resolved. We should stress that no results will be lost and there will just be a delay updating the web-pages.
Running ISETUP looses the edits to think.env (resolved)
The Find-a-Drug control panel rewrites think.env. In 1.20c it retains any additional lines such as THINK_OPENGL=0.
Minimising THINK and SERVER (resolved)
On a locally networked PC, the minimise control made the THINK graphics window invisible when there was no way of restoring it. The use of the minimise control to make a window invisible is non-standard. In 1.20f this can behaviour is disabled but can be restored by editing think.env using a text editor such as notepad and inserting the line

THINK_MINIMISE=OFF

On some PCs the THINK graphics stops immediately with OpenGL (resolved)
Although the underlying problem is usually a video card driver problem, THINK will now automatically disable OpenGL and restart if the software is immediately crashed by OpenGL.
The THINK graphics crash when picking Usage on help menu (resolved)
Clicking on Usage on the Help menu generates an special error message window and terminates the THINK graphics application. A fix should be downloaded automatically to all members shortly and the usage text is available here.
There is no way of changing the screen saver display style (resolved)
When running THINK in a window the display style can be changed using the pop-up menu or the view drop-down menu. When using THINK as a screen saver, clicking the right mouse button exits THINK (as expected).

The display style may be changed to ball-and-stick by editing think.env with a text editor (such as notepad but not word) and inserting the line
THINK_OPENGL=3
For spheres and space-filling displays values of 4 and 5 should be used instead of 3.

SERVER ignores some complete jobs (resolved)
Under obscure circumstances (eg resetting a job), the SERVER will subsequently fail to upload a completed job ignoring its '2' status.
If you exit or stop the server and then restart server in a command window by typing
c:\think\server /v /r
(assuming the software is installed in the think folder and drive c) it will rescan the processed jobs for ignored completed jobs and recheck rejected jobs.
THINK graphics is speckly (resolved)
The OpenGL graphics requires more than 256 colours. If your graphics adaptor does not support this (or you do not wish to use more colours), then you need to edit think.env with a text editor and insert the line

THINK_OPENGL=0

THINK sometimes crashes (resolved)
We have had reports that THINK appears to be associated with Operating System Exception (blue screens) and occasionally just stops or crashes. Obviously, if a PC has a hardware or software configuration problem, THINK may cause the PC to crash but if there is a genuine THINK problem we will endeavour to resolve it. If THINK repeatedly crashes in the same way on the same job, then please report the details to support@find-a-drug.co.uk.
Minor problems with SERVER (resolved)
The output to jobs.htm can show negative times after a backup is restored (when the creation date is later than the modified date) and the job number does not match that in the window if jobs are deleted.
Server sometimes rejects valid jobs (resolved)
It has been reported that occasionally, the server rejects jobs and sets their status to 03 for no apparent reason. Please contact support@find-a-drug.co.uk if you continue to observe this problem.
Server (1.14g) intermitently crashes (resolved)
This only occurs if the Planned Connections in setup is not set to "Selecting All Jobs" or "After Confirmation". We believe we have identified a cause and a fix will be automatically downloaded on 8 June - unless we find further problems.
Switching users under Windows XP starts multiple copies of THINK and SERVER (resolved)
If think.lgo is placed in the all users startup folder, then each user will run THINK and SERVER. When switching users (instead of logging off and back on), an additional copy of THINK will start and an error message will appear indicating that a second copy of SERVER has not been started.
Server appears to hang (resolved)
When started automatically after a reboot or login, the server is unable to make its error message or connection window visible. This has the consequence of the server appearing to hang. The server will write the message to the logfile unless the message is that the server is already running!

If you stop the server and start it manually with c:\think\server /v (assuming you installed think in the default directory) you will see the queue of jobs and any messages.

Until 1.14g is available, it is suggested that you enable the "Connect Automatically" toggle in setup.


THINK only autostarts on reboot for English version of Windows (resolved)
The setup program will report an error if it fails to place think.lgo into an appropriate startup folder. You MUST do so manually for THINK to run properly, upload results to the server and download new jobs.
think.scr was not updated by loader (resolved in v1.14e)
think.scr in the windows directory (used for screen saver mode) was not automatically upgraded to the new version of think.
More than 1 mortar board is drawn at times (resolved in v1.14e)
The implementation has been changed to use a BMP file which should also be more efficient.
Think nolonger starts
It has been reported that following an upgrade to v1.14d (v114d.upd marker file is present), think.exe and/or server.exe have been deleted without their replacement think.new and/or server.new being renamed. In one case, these files were missing. It is believed this arose due to multiple copies of loader running.

Under these circumstances you need to re-download. Delete think.new and server.new (if present), ensure that think, server and loader are not running, and re-install, overwriting the existing files. Providing isetup.dat is still present (ie don't delete it) you do not need to re-register and you will maintain you current list of processed jobs etc. If you have any difficulty please contact support@find-a-drug.co.uk.
Some jobs abort with network PCs (resolved)
When running on a local network with several copies of THINK, server.log and server /v show that some jobs have been aborted or cancelled as a result of errors.
Job downloads fail (resolved in v1.14d)
After deleting jobs using server /v, the server.log shows jobs downloaded are not placed in the queue because the file already exists in the queue.
THINK just hangs (resolved)
Some members have reported that THINK hangs. This is known to be a potential problem during software upgrades when think may idle at 100% completion of the current job. During the upgrade, the server stops after a delay of up to 15 minutes and the loader is started. This waits for think to finish its current job to avoid revising the software in the middle of a job. If there are no more jobs in the local queue, think v1.14d does not exit and MUST be stopped manually or wait for the v1.14e loader to stop it. The loader will then proceed to automatically rename think.new to think.exe (and if appropriate server.new to server.exe), restart the server and think. Alternatively, if you login and logout (or reboot), the loader performs the upgrade.
Duplicate Nicknames
At present there are no checks for unique Nicknames. This will be reviewed in the future but is complicated by the use of multiple independent servers!
Server does not start automatically (resolved)
If you register without access to the All Users startup folder (which may require Administrator privilege), then think.lgo is not placed in this folder. This did not work properly under XP (resolved v1.14b) nor under Windows 2000 (resolved v1.14d). In addition, systems which have been upgraded to XP use non-standard startup folders (..\All Users.WINDOWS\Start Menu\Programs\Startup and ..\username.WINDOWS\Start Menu\Programs\Startup). This path can be >80 characters and too long for the loader program!

You can copy think.lgo from the think software folder to a startup folder or use the advanced options for Task Bar and Menus item under Settings on the Windows Start menu.
Screen saver not terminating in response to keyboard and/or mouse (resolved in v1.14d)
THINK normally ignores the mouse buttons and motion but responds to the keyboard. One report has been received when THINK fails to exit promptly under Windows XP.

A workaround is to use Ctrl+Alt+Delete and stop the THINK process.
Deleting working files (resolved)
Working files (j*.log and r*.smi) are not automatically deleted when the results are uploaded to the server. The starting molecule files (m*.smi) are retained for re-use in the event of an internet connection being unavailable or undesirable (see planned connections in setup program).
Spurious crashes (resolved)
A revised think.exe hopefully address the problem.
Screen saver does not start (resolved in v1.14b)
Unfortunately for many installations salflibc.dll is not on the path. Although it is in the working directory (\think by default), it is not copied to the Windows directory with the screen saver executable. This has the consequence that neither the screen saver nor the loader start although there is no problem if background mode is used. Members will be e-mailed about this because if the server is not loaded, automatic downloads will not work.

A workaround is to copy salflibc.dll from the working folder into the appropriate Windows folder. The environment variable windir points to the appropriate Windows folder. This is \windows for older versions of Windows but varies for NT and XP.
Screen saver settings and preview (resolved in v1.14d)
This caused odd behaviour including, on some PCs,the appearance of an OUTPUT window which had to be closed manually.
Multiple copies of THINK (resolved)
Multiple copies on a single PC (eg a dual processor) or on a local network are supported under v1.14e.

You should first run the setup program to increase the GHz setting to the sum of the PC network. If you experience any difficulty or already have multiple PCs running with the same registration number contact support@find-a-drug.co.uk.

When using a local network, the SERVER runs on the PC used for the registration. To automatically run multiple copies on this PC edit (using a text editor such as NOTEPAD, not WORD) the think.lgo in the THINK directory to repeat the think.exe lines. Note: this file is regenerated when you run the SETUP program which means you will need to repeat your edits.

For any networked PCs, simply create a short cut in a startup folder to think.exe, using the path to the executable as the command line eg \\PC1\THINK\THINK.EXE. With 1.14e you nolonger need to edit think.env

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