Release v1.1 of CoLibri
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Quick Start:
- make sure in config_clb.dat that the path to corina is set properly
- In bat are 8 scripts located, all of them should run.
To run the script successfully, a multi-smiles file named
zinc.smi is expected in the ./mol directory. The original file, that has
been used for all the examples can be downloaded from:
http://blaster.docking.org/zinc5/current/cdiv/cdiv_s.smi.bz2
Please locate this file in the mol subfolder of your CoLibri installation,
unpack it and rename it to zinc.smi, and please remove the first line, it contains
no molecule.
- A version of the user-guide, including a tutorial is located in the doc folder,
of the installation path (colibri_ug.pdf). The pages 27-49 contain the
tutorial, this may be printed out.
Enter ./bin/colibri to start directly.
Changes:
- see doc/changes.colibri
Known Issues:
- Skript 7 and 8 produces error messages, that some compounds can
not be written to mol2.
Have a lot of fun with CoLibri.
2. License Keys
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Our software is license key protected. Please be aware that you cannot
run Colibri under any circumstances without a valid license.
Please use the form at http://www.biosolveit.de/license/
to request a license for our software or to request further information
about the licensing procedure. Alternatively you may mail us
at license@biosolveit.de
To obtain a valid license you have to determine the processor
or system ID of your computer
Unix: Type colibri -i. Colibri will output the processor or system
ID of the machine it is running on. Alternatively, you can
use the small ID generation tool 'FlexIDgen' from
http://www.biosolveit.de/download. (If it does not have
the 'x' flag, set it with chmod +x FlexIDgen.)
After you receive your license keys from us, you will need to edit
config_clb.dat. After the keyword @license_files enter the
path and name of the license files containing the license keys.
2.1 BioSolveIT license scheme for platforms Linux/IRIX
For the Linux, and IRIX versions of Colibri we are using
the FlexLM license management which allows flexible administration of
your FlexX licenses. Each line of a license file includes the name of
the licensed tool or module, and -- among other information --
the version number and the expiration date of the license.
INCREMENT Colibri BIOSOLVE 2.0 28-jun-2005 uncounted \
HOSTID=COMPOSITE=803C749ABB01 SIGN="0078 AD79 1445 A900 \
906E 00A4 AB51 F600 AFC8 4394 9356 3C87 EBD2 4A7B E88D"
Instead of altering your config_clb.dat to specify the location
of the license file you can alternatively set the
BIOSOLVE_LICENSE_FILE variable to point to your license file.
This version of Colibri has only limited support for spaces (' ') in
filenames. To specify a license file that resides in a directory path
that uses spaces, you have to set the environment variable
BIOSOLVE_LICENSE_FILE to point to the license file.
See the Colibri User Guide to obtain additional information about
installing a license server.
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