How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
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= Tips for users = | = Tips for users = | ||
You can create and save multiple blaster config files with different settings so long as they have different names (e.g. | You can create and save multiple blaster config files with different settings so long as they have different names (e.g. blasterconfig_default.yaml, blasterconfig_use_existing_charged_receptor.yaml). Then it is easy to reuse the same configuration settings at a later time. | ||
Revision as of 20:46, 7 April 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 (or at whichever file paths you set for their corresponding parameters in the config file).
1. Source the relevant pre-configured environment
Gimel:
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 "blasterconfig.yaml"
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
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. blasterconfig_default.yaml, blasterconfig_use_existing_charged_receptor.yaml). Then it is easy to reuse the same configuration settings at a later time.