Blastermaster2.0: Difference between revisions
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== Quick start '''using gimel5''' == | == Quick start '''using gimel5''' == | ||
== 0. Copy the blaster config file to your directory == | |||
Copy your rec.pdb and xtal-lig.pdb files to your directory. Blastermaster 2.0 will look for these in the directory in which you run it. | |||
== 1. Copy the blaster config file to your directory == | == 1. Copy the blaster config file to your directory == | ||
Revision as of 04:59, 11 March 2022
Quick start using gimel5
0. Copy the blaster config file to your directory
Copy your rec.pdb and xtal-lig.pdb files to your directory. Blastermaster 2.0 will look for these in the directory in which you run it.
1. Copy the blaster config file to your directory
export BM2_PATH=/nfs/soft2/ian/blastermaster-2.0 cp $BM2_PATH/blaster_config.ini .
2. Edit the config file to your specifications
vi blaster_config.ini
To enter edit-mode, press "i".
Make your edits.
When you're done, press "ESC" to exit edit-mode.
Press "x!" followed by "RETURN" to save your edits and exit the text editor.
3. Run Blastermaster 2.0
bash /nfs/soft2/ian/bm2.sh blaster_config.ini
For developers
Blastermaster 2.0 is built and run using Poetry.
The bm2.sh script used to actually run blastermaster 2.0 lives in /nfs/soft2/ian/