Tutorial on SeeSAR
INSTALLATION
a. COOT (free software for crystallography, NO BioSolveIT tool! License file not needed)
http://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/
For those of you who want to see electron densities and get a feeling for the
world of crystallographic refinements.
b. BioSolveIT LeadIT v2.1.8 (License appended)
www.biosolveit.de/download
BioSolveIT's comprehensive SBDD suite for the cheminformatician.
Due to short time available, will NOT be handled in the tutorial.
(register as an academic.)
c. BioSolveIT SeeSAR 3
www.biosolveit.de/download
A "Personal SAR Assistant", speedy and visually helpful in lead optimization.
Core tutorial program that we will use.
(as above)
License file installation
1. Create a directory c:\biosolveit\license or so.
2. Save the appended file to that directory (KEEP the file name extension)
3. Tell the tools where the license is:
a. LeadIT:
i) go to LeadIT -> Global Preferences -> License Keys
ii). ADD the path that you defined (example above: c:\biosolveit\license)
to the dialog:
iii) click APPLY and CLOSE (bottom right)
b. SeeSAR:
i) Go to the question mark symbol in the top right, click and select 'License'
ii) DRAG and DROP the license file into the center field, click CLOSE