Blastermaster2.0

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

Tips for users

You can create and save multiple blaster config files with different settings so long as they have different names (e.g. blaster_config_default.ini, blaster_config_add_no_hydrogens.ini). Then it is easy to reuse the same configuration settings at a later time.

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/

Note that users need read / execute permissions, so be sure to run: chmod -R 0755 <BM2_DIR_PATH>