Changes in Find-a-Drug software 1.24g

This document was last updated on 18 August 2004 15:00 (GMT+1).


The only significant change to the loader is for Linux upgrades in 1.24f. A revised mechanism for deleting and renaming files is used. We hope this will fix the problem which resulted in server being deleted for some Linux users.


Some minor and obscure bug fixes are included in 1.24g. The following changes were in 1.24d.

When the Off-line button is inadvertently pressed, it is no longer necessary to delete entries from the registry prior to re-installing the software (after deleting isetup.dat when installing in the same folder). The windows help text has also been upgraded.

Participation in the beta and methodology projects is disabled by default for new members.

The following change was made in 1.24b. Local copies of fadsetup and think are now used by networked clients. This should result in more predictable behaviour when the network fails (ie think stops and is restarted by fadsetup). Note: If network clients are started via a shortcut to think, then local copies are not used. The local copies are placed in the TEMP folder.

THINK client

The optional pcname.* files now contain the rating. To enable this output set THINK_KDFOLD=YES in think.env or as an environmental variable.

An obscure bug has been fixed in 1.24f which was in the original 2000 code and was more apparent in 1.24d as a result of some other changes. This will have the consequences of more hits and longer job times in many cases. We continue to seek an appropriate balance between the time spent on each set of molecules and the quality/quantity of hits. The following changes were made in 1.24d.

The rating calculation has been revised. This is expected to reduce the fluctuation in the rating and therefore the number of points/GFlops awarded for the same job. In addition, a problem which resulted in abnormal number of points/GFlops being awarded for some long jobs has been corrected. We are aware of some other potential issues and will be monitoring the performance of the beta release.

There are a number of internal enhancements which allows us to process additional proteins.

Job queue server

A minor problem with import/export under Linux has been resolved and a problem with client/server queue interaction has been fixed (mixed windows/linux clients are not supported). When the Internet connection fails, the server will now "backoff" for 15 minutes even if the Planned Connection setting is "Selecting All Jobs". The following changes were made in 1.24d.

When configured for Off-line use the Send and Receive buttons still worked and resulted in jobs being sent without being attributed to any member. These buttons are now disabled as this mode is for use when jobs are being imported and results exported on a PC without an Internet connection. To resolve this, delete isetup.dat and re-register by running fadsetup.

When possible jobs are now added when an Internet connection cannot be used to download jobs.

the following changes were made in 1.24b. In the event of a upload failure where some results were sent, 1.24b changes the status of those that were sent and only re-sends the remaining completed jobs. (In 1.23c all jobs were re-sent).

Command line export of jobs has been fixed.

Automatic Upgrade

This upgrade should proceed automatically and take about 2 minutes.

Outstanding problems

fadsetup.scr can crash THINK
Under Windows XP when FaDsetup is configured as the screensaver, it often causes THINK to crash when it starts.
Linux messages
Under Linux there are no messages written to the screen during an upgrade (although there are to server.log and loader.log). This can cause confusion.