How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
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(Created page with "== 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 wi...") |
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== | == '''Gimel5''' == | ||
== 0. Copy the blaster config file to your directory == | == 0. Copy the blaster config file to your directory == | ||
Revision as of 19:31, 15 March 2022
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. Source the BM2 environment
source /nfs/soft2/ian/env.sh
2. Copy the BM2 config file to your directory
cp $BM2_PATH/blaster_config.ini .
3. Edit the BM2 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.
4. Run BM2
blastermaster 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.