How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
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== 3. Edit the blaster config file to your specifications == | == 3. Edit the blaster config file to your specifications == | ||
Crucially, set the `dockbase` parameter to the path of your DOCK software directory. | |||
To enter the vi text editor: | |||
vi <BLASTER_CONFIG_FILE_NAME> | vi <BLASTER_CONFIG_FILE_NAME> | ||
Revision as of 18:31, 16 March 2022
Using Blastermaster 2.0
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. Source the relevant pre-configured environment
Gimel5:
source /nfs/soft2/ian/env.sh
Wynton: N/A
2. Generate a blaster config file to your directory
The following will generate a file called "blaster_config.ini"
blasterconfig
The following will generate a file called whatever you put for <BLASTER_CONFIG_FILE_NAME>
blasterconfig <BLASTER_CONFIG_FILE_NAME>
3. Edit the blaster config file to your specifications
Crucially, set the `dockbase` parameter to the path of your DOCK software directory.
To enter the vi text editor:
vi <BLASTER_CONFIG_FILE_NAME>
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
blastermaster <BLASTER_CONFIG_FILE_NAME>
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.