Files in the think folder

The following table gives a list of most of the files in the think folder and their purpose. Please refer to the web-site for information about current projects and frequently asked questions. You may also find the message board helpful where you can also post your own questions.
FilePurpose
fadsetup.exe This program needs to be run first and allocates a member number. You may also run it on other occasions to change your setup. It creates isetup.dat and sends this to a Find-a-Drug server. It also creates node.txt which stores the computer name and think.env which provides information for think.exe and server.exe.
think.exe This is application program which runs the computational jobs while displaying the molecules it is evaluating for interactions with a target protein.
server.exe This program displays the local job queue, downloads new jobs and uploads the results to a Find-a-Drug server. When first executed it creates the server.dat file which stores the job queue.
loader.exe This program is run automatically during login by passing the file think.lgo to it as an argument. It in turn starts server, fadsetup and think (if not being used in screen-saver mode). It is also executed automatically when a new version of think, server or tray is automatically downloaded from a Find-a-Drug server.
salflibc.dll This is the run-time library for the Salford FORTRAN which is used. When using think as a screen saver this file and think.exe (renamed to think.scr) are automatically copied to the windows directory. Not present under Linux
readme.txt Getting started under Linux only
fadsetup.hlp Help text for fadsetup
server.hlp Help text for server
jobs.htm This file is created when jobs are first uploaded to a Find-a-Drug server and provides a list of the completed jobs with associated data. Some members may wish to review this in a browser or load it into Excel for create a chart.
computer.tlg These are eye-readable text files created when think is first executed and contains progress information and any error messages for each computer. If you are running multiple copies on any computer then there will be a -n suffix to the filename where n is a number.
j*.dat These are check point files which record the current jobs and last molecule processed etc every few minutes. On restarting think (for any reason) execution continues from the next molecule.
server.log This eye-readable text file is created when server is first executed and contains progress information and any error messages.
loader.log This eye-readable text file is created when loader is first executed and records its activities.
j*.log These binary files defined the job which is to be executed. They are automatically deleted after successful completion of a job.
m*.smi These binary files contain the molecules which are being searched. They are retained on the member's PC in the cache subfolder for use with subsequently protein queries.
r*.smi These are the binary results files from the jobs. They are automatically deleted after being successfully uploaded to a Find-a-Drug server.
*.pdb These binary data files contain the protein query. The name corresponds to the identifier used on the Find-a-Drug website. The corresponding *.log files are the template job files.
http.lis This contains the list of http servers for downloading new jobs.
cgi.lis This contains the list of cgi servers for uploading results.
*.upd
*.end
These are version marker files.
reject.smi
key.smi
transform.smi
These are essential molecule files for think
licence.key This is the Find-a-Drug licence key. Without this file THINK will not execute the appropriate modules.
licence.txt This is the Find-a-Drug licence. For windows this is only on-line
default.lrn This is an essential binary configuration file
screen.ini This is an essential binary configuration file
think.bmp This is the mortar board bitmap file which is displayed when there is no molecule being processed.Not present under Linux